data_1dg4_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 1dg4 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 49.2 m -54.12 136.92 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 8.9 tp -140.98 107.37 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -106.74 175.8 21.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.6 pt -118.53 168.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 0.723 . . . . 0.0 109.303 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.59 108.97 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 17.3 p -102.68 176.5 5.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.434 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.5 ttm -48.71 127.82 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 100.24 25.72 8.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 170.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 61.36 36.14 92.03 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.12 140.51 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -76.89 144.02 39.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.5 m -135.0 119.18 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 167.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 42.2 m -71.79 80.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 170.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 60.6 mt -83.75 -10.91 57.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.02 142.77 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -115.97 166.35 12.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -166.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -54.34 -44.6 72.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -111.35 50.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.377 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 87.6 m -76.42 61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 170.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.5 m 40.33 59.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 162.48 57.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -168.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 164.32 88.62 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 120.95 -2.521 . . . . 0.0 110.975 -21.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 15.3 t -160.07 174.79 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -150.83 96.54 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -101.08 142.49 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 73.3 p -146.45 69.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 425' ' ' VAL . 0.3 OUTLIER -174.44 174.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -175.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 424' ' ' GLN . 12.0 m 32.57 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 -167.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . 0.591 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 0.3 OUTLIER -145.4 106.81 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 173.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 48.9 m -143.12 153.66 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -173.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -79.86 132.08 36.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.61 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -164.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -84.88 88.17 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -161.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -67.84 -30.94 70.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.45 0.61 57.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -166.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -114.04 -172.21 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.29 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 p -130.74 43.44 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 158.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.17 167.22 30.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -172.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 4.8 p -109.82 143.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 68.4 p -138.68 94.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -80.06 132.98 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -116.62 135.63 53.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 166.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.91 117.25 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -169.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 8.7 mt -118.35 103.49 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -162.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.82 139.42 38.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 114.88 157.17 11.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -103.61 108.83 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.53 136.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -171.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -64.47 -61.64 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.252 -169.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -67.0 139.75 57.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.86 60.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.76 -8.7 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.61 15.13 23.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -131.72 152.74 50.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.56 94.44 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -159.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 96.6 p -75.51 146.95 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 109.982 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 0.0 OUTLIER -148.2 13.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 174.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -166.88 142.0 7.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -160.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -165.85 154.63 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.285 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 148.89 26.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 111.082 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.95 158.1 42.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -168.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 39.4 tp -154.86 130.34 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.86 151.01 24.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.55 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.44 151.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -168.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 176.307 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -135.1 129.26 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -164.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -135.11 131.72 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.9 132.3 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.66 145.78 37.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 54.2 m-85 -105.13 94.42 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.56 121.75 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.89 129.32 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.93 175.23 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.28 94.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.218 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.87 -17.61 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 96.21 23.8 16.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.8 mt -73.5 131.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.18 105.61 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 171.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -93.1 92.1 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.17 127.03 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -172.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 47.0 t -139.43 127.41 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.97 -158.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -113.68 133.33 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -134.53 115.58 14.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -96.13 110.01 22.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -78.09 -25.07 47.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -76.23 -48.93 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 28.0 t -82.82 -24.97 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.27 70.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.29 141.14 35.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.273 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.42 140.21 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 154.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.45 134.81 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 172.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -150.27 154.28 37.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.244 -163.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.88 134.74 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -165.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 12.4 p -111.65 126.73 55.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.446 HD11 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.04 124.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -56.86 159.2 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -133.72 57.09 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.322 169.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 81.0 p -156.89 159.44 38.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 41.0 t 51.47 81.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.769 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.7 m -60.84 93.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 166.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 6.8 tt -79.89 127.41 32.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -141.2 145.84 16.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.062 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -92.96 165.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.47 92.72 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.5 p -91.8 146.98 23.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.3 ttm -50.24 133.77 23.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -162.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.95 -17.12 6.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 82.11 31.46 31.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -173.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 13.1 p -140.88 131.92 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -77.49 154.09 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 93.8 m -130.69 113.01 13.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 172.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 63.2 m -65.35 73.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 163.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.53 -19.31 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.3 tt -140.4 149.66 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -139.77 166.93 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -164.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -75.65 -7.91 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.38 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -120.51 60.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 168.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 418' ' ' ILE . 51.1 m -113.8 60.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.182 . . . . 0.0 110.339 164.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 89.4 m 67.18 -75.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.456 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.488 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 29.2 mt 60.78 92.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.3 Cg_endo -75.11 165.53 85.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 20.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 8.8 t -163.35 -178.66 6.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 150.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.65 122.9 15.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -124.67 155.99 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 32.1 t -149.52 51.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -58.63 155.59 12.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.3 134.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -144.12 82.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -60.26 144.92 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.06 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 5.6 p -79.01 123.84 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.58 -6.48 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 -167.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.65 80.26 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 168.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -68.9 -27.02 65.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 109.303 -166.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -71.95 -26.72 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -92.49 135.93 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.238 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 m -82.58 63.13 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.22 172.56 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.3 p -129.6 136.67 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -121.3 110.52 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.374 -172.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.23 134.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.373 170.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -137.91 107.57 6.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 56.0 t -74.31 134.48 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.263 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.92 160.41 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 168.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -156.1 158.42 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.333 165.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 145.18 -142.08 10.47 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.517 1.136 . . . . 0.0 111.06 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -145.32 39.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.19 117.82 16.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 168.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.25 -39.33 68.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 -164.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -61.57 119.19 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.18 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -150.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.84 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.79 -2.14 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -105.07 162.52 13.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -68.63 137.28 54.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 36.7 p -78.29 152.13 32.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 8.1 tp -152.1 53.41 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 77.29 171.57 35.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.31 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.92 137.43 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -177.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -141.72 153.77 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.71 143.98 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.0 175.63 6.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -168.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.74 21.8 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.35 162.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.372 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 171.572 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -137.37 110.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -97.81 126.0 42.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 163.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 48.2 t -108.41 83.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 152.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 6.5 m -68.79 116.21 9.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -93.34 88.57 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.22 120.77 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -163.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tt -104.75 124.06 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.81 167.19 21.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.18 -27.97 69.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.93 -18.0 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.22 13.62 51.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.6 mt -80.52 137.93 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 168.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.68 96.99 10.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 171.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -77.06 95.71 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 109.56 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 56.8 t -96.56 125.31 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 152.45 46.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.08 140.84 46.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . 0.437 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 1.0 OUTLIER -146.99 113.71 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -174.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.65 123.33 39.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.242 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -76.06 -16.13 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 168.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.91 -55.89 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.7 t -102.86 -21.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.72 10.16 70.44 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -80.98 154.7 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.378 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . 0.437 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 19.6 pt-20 -160.07 155.91 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 168.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.04 179.8 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.69 155.17 46.55 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 -159.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -148.11 122.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 170.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 11.6 p -102.38 129.58 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.02 124.58 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 178.064 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -68.8 159.21 32.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 172.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -153.66 144.5 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 4.2 t 63.54 -179.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -160.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 16.1 m 51.63 45.2 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.107 -174.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 58.5 m -51.08 112.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 9.7 tt -81.79 133.2 35.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.371 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.94 159.91 28.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 166.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.6 pt -109.63 165.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.376 0.692 . . . . 0.0 109.302 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.93 84.85 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 5.6 p -79.4 178.19 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.451 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 43.4 mtt -42.28 120.25 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 116.07 -19.4 13.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 85.39 41.51 7.36 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.79 139.24 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -74.58 106.73 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 98.5 m -97.55 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.345 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 97.0 m -65.41 82.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 164.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.9 -53.57 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.21 133.73 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -90.78 157.46 17.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 109.329 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.0 111.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 62.47 63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -174.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 417' ' ' THR . 90.8 m -69.87 63.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 167.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 416' ' ' THR . 36.2 m 40.72 67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.6 pt -72.41 163.53 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -165.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.74 87.72 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -23.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 11.6 t -164.73 162.34 21.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' A' ' 473' ' ' GLU . 31.7 tttt -118.12 143.66 46.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -131.04 119.5 22.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.585 166.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 7.1 p -92.45 125.25 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.963 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.66 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 49.9 t -114.68 127.42 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.41 39.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 173.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.1 p -133.15 27.53 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 39.2 p -128.49 63.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.473 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.09 -46.97 31.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -93.4 116.73 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.08 -34.45 76.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.03 -41.26 97.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.48 102.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 48.9 m -81.1 60.61 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -161.03 172.58 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.275 -174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 5.1 m -114.12 147.31 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 152.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.2 p -137.26 96.12 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.405 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.9 mp -100.94 129.54 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -109.81 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.555 158.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.34 129.96 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.53 163.74 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 174.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -145.76 140.48 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 166.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 161.52 -157.43 29.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.77 38.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 447' ' ' ARG . 5.2 mtm180 -119.0 10.89 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -170.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 68.44 -76.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.275 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 445' ' ' ARG . 6.6 mtp-105 -65.64 138.78 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.223 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -24.11 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.233 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.18 -9.9 58.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.32 0.01 24.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.41 148.14 31.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -160.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -81.02 110.92 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -166.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 31.1 p -79.59 147.71 31.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.54 21.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 175.498 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -179.8 147.63 7.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -165.6 148.89 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.365 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -164.56 161.32 21.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.963 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -136.19 170.13 16.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 16.6 tp -142.61 101.92 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 160.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.14 150.42 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 82.11 27.16 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -172.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 5.2 tt -74.7 144.41 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -166.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 1.8 tp -97.5 140.19 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 165.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' A' ' 421' ' ' LYS . 19.7 tt0 -137.44 102.61 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.71 96.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.213 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.2 m -74.02 140.2 45.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -117.46 91.1 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 160.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -110.51 119.63 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.19 124.24 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -173.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.8 168.21 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -167.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.12 77.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.96 -17.55 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 94.64 18.84 33.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 483' ' ' ILE . 2.1 mp -95.27 139.43 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 17.2 tp -88.79 113.95 24.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 168.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -87.04 114.9 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.569 167.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.32 130.71 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 88.3 p -149.9 131.57 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.56 102.17 14.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -100.67 107.88 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.5 116.64 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -77.06 -25.43 52.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.351 -171.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -84.91 -48.66 9.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.37 1.044 . . . . 0.0 109.268 -173.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 32.7 t -74.27 -30.75 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.57 84.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -81.23 148.99 29.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -138.33 119.93 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 167.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -102.93 126.86 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -102.83 151.65 22.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 -164.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.47 124.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 162.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.5 p -98.98 128.35 45.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -135.49 137.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 174.406 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -59.15 161.23 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.26 156.64 48.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 3.3 t 74.05 115.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.1 t 60.26 -166.96 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -178.457 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 38.6 m -68.94 121.65 17.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 6.8 tt -86.97 135.28 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -145.41 143.86 12.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.7 pt -95.27 151.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -172.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -79.56 116.85 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.315 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 26.6 p -114.17 169.48 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.414 166.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 36.7 ttm -50.51 138.28 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 114.39 -14.49 20.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 68.75 42.52 79.15 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.91 137.59 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -167.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 9.5 ttt -79.41 99.58 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 111.09 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 84.8 m -75.27 88.97 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 55.6 m -70.19 76.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . 0.414 ' C ' ' CD2' ' A' ' 411' ' ' LEU . 0.0 OUTLIER -82.08 -5.7 58.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -177.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.86 149.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.241 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.2 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -50.2 -37.86 37.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -111.42 61.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -175.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 418' ' ' ILE . 37.8 m -92.62 46.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 57.2 m 61.31 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 416' ' ' THR . 2.6 mt 67.18 132.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.312 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.0 158.41 99.02 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.991 -1.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 8.0 t -164.63 169.48 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.419 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -135.44 130.56 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -126.62 152.22 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.0 p -163.01 171.69 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.079 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 65.01 174.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 2.9 t 56.87 36.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -159.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -148.62 150.91 34.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.4 m -175.68 176.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -167.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.1 p -77.53 74.06 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.25 77.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.02 130.25 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -161.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 52.31 50.5 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.356 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 49.7 m -160.19 -51.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -106.03 167.1 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.7 p -131.84 118.29 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 7.5 t -101.02 135.54 42.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 172.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.3 mp -118.6 127.88 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 163.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.52 109.08 19.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.594 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.8 131.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 3.1 mt -120.68 167.52 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 166.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.77 139.46 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 153.73 -134.15 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.02 41.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.31 160.09 34.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.62 -56.28 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -85.6 146.35 26.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -80.77 -15.46 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -160.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.34 -9.45 58.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.32 12.28 18.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.354 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.07 148.55 42.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.264 -169.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.78 142.7 32.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -169.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 11.8 p -80.52 160.92 25.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -174.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.21 48.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 163.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 64.57 -167.21 29.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -155.6 163.75 39.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.246 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.75 143.42 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 168.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.13 137.92 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.6 148.29 30.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 172.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.61 163.83 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.273 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.61 -43.78 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.33 144.05 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -170.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 177.797 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.11 137.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -171.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -126.33 139.35 53.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 157.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 114.98 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 161.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 2.3 m -86.93 147.34 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.83 89.1 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 173.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -133.8 124.29 26.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -157.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.6 tt -101.4 132.65 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.387 1.055 . . . . 0.0 109.353 -169.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.84 172.69 8.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.18 77.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.32 -17.02 63.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 19.39 30.93 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.36 134.24 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 109.285 169.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.3 tp -82.4 110.89 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.366 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -81.5 120.13 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.643 164.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 72.1 t -120.33 133.35 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -153.29 155.58 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 -171.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.76 141.89 51.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -131.84 111.07 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.52 125.27 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -173.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 169.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.97 -56.58 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.329 -170.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.8 t -99.94 -11.27 20.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.934 -171.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 79.24 10.56 85.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -77.29 157.08 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.361 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -148.27 131.43 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 162.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -129.97 139.83 51.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 146.45 49.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 130.76 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.3 p -111.02 126.63 55.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.398 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.73 132.27 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -177.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -79.69 138.83 37.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -86.06 63.18 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 14.8 t -171.39 142.13 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 26.9 t -162.35 -58.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 40.4 m -60.32 141.72 55.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.51 117.39 34.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -126.12 -179.64 15.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 4.5 pt -131.91 163.87 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.355 173.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -77.91 126.98 31.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.84 164.41 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.391 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.6 ttm -52.23 124.89 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -163.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.73 -22.59 4.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.32 33.31 14.43 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -173.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.1 146.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -168.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.95 152.47 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.2 m -127.33 125.5 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 164.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 36.0 m -67.73 73.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -38.77 92.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.24 152.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.231 170.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -124.57 168.53 12.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 176.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -54.67 -42.51 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -175.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -121.22 60.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 418' ' ' ILE . 46.2 m -76.76 50.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 167.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.1 m 52.64 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 -160.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.493 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 45.8 mt 67.09 130.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -176.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.93 158.08 99.2 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.089 0.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 10.2 t -160.92 166.28 28.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.477 175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -144.46 127.14 16.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -163.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -151.44 160.68 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 424' ' ' GLN . 84.6 p -145.15 -89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 173.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . 0.415 ' O ' ' CG1' ' A' ' 425' ' ' VAL . 33.4 tt0 54.69 39.84 31.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 424' ' ' GLN . 2.1 p 62.92 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 158.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -154.19 135.75 14.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.8 m -67.41 129.57 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -165.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.39 68.42 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 166.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.17 70.98 10.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.84 105.34 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.32 -22.62 54.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -171.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.65 -29.16 69.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -162.96 134.79 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.5 p -71.11 73.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -144.17 130.62 19.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.5 136.25 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 15.2 t -132.73 116.27 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.22 102.23 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.182 . . . . 0.0 109.262 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -80.48 102.66 9.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 161.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -89.31 130.42 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -163.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.11 141.2 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -112.77 132.27 55.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 156.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.71 174.05 17.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.568 1.168 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.22 51.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.253 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 42.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -171.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 63.4 -89.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.96 134.07 44.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -168.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.36 80.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -163.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.99 -8.23 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -106.72 5.03 28.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.78 162.75 16.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -79.66 84.11 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 55.1 p -68.51 156.64 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.59 46.3 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.17 -160.83 14.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -164.12 160.08 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.252 -172.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.18 138.71 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 173.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -128.39 163.39 24.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -146.74 119.37 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . 0.426 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 2.4 p30 -97.51 151.13 20.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -161.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.2 44.93 4.89 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.52 87.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -173.853 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 7.0 tp -78.98 135.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 162.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -119.41 102.15 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.382 169.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.86 119.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 167.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' THR . . . . . 0.489 ' OG1' ' NZ ' ' A' ' 489' ' ' LYS . 79.0 m -97.67 145.25 26.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.453 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.43 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -125.65 124.38 41.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.7 tt -113.47 128.23 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -170.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.55 -179.6 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.7 70.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -171.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.84 -18.01 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.48 45.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.31 129.12 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 119.62 23.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 170.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -92.83 104.23 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.591 172.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.41 114.88 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.5 p -146.71 144.69 29.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -163.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -132.23 127.67 36.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . 0.489 ' NZ ' ' OG1' ' A' ' 475' ' ' THR . 14.4 pttm -143.58 110.57 5.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -167.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.06 118.66 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -76.07 -15.76 60.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -81.38 -51.91 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.6 t -92.56 -24.68 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -167.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.77 69.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.426 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 85.3 mttt -71.26 152.18 43.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.65 134.35 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 166.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -142.61 157.24 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 164.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.82 147.06 34.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -169.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.77 127.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 175.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 18.0 p -106.99 129.15 54.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.426 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.93 137.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.62 1.2 . . . . 0.0 109.28 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -64.93 137.15 57.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -103.22 51.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 45.3 t -165.23 -50.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 93.1 p -132.05 62.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 178.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 50.8 m -78.04 134.96 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -164.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.14 128.22 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -142.76 177.34 21.87 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.443 1.09 . . . . 0.0 111.036 175.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.65 171.23 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 109.331 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.77 135.7 36.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 165.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.8 p -131.7 175.74 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 171.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 26.8 tpp -48.86 136.9 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -168.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 107.57 -2.67 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 67.86 35.54 85.03 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.1 129.31 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.239 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 4.2 ptm -85.67 151.73 23.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -163.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -104.97 113.11 26.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 67.5 m -66.88 71.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 162.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -29.2 65.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -175.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.21 138.09 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -107.86 164.56 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -54.78 114.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 4.0 t30 62.78 61.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 417' ' ' THR . 94.3 m -72.55 63.43 0.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 168.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 416' ' ' THR . 1.9 t 33.76 59.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 174.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.7 pt -67.78 160.67 72.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.88 89.69 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.982 -17.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 10.2 t -162.17 170.33 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -141.19 136.75 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -169.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -129.14 159.17 36.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.611 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.3 p -163.31 161.12 24.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . 0.421 ' O ' ' HB ' ' A' ' 425' ' ' VAL . 1.2 tt0 62.08 -167.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 173.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 424' ' ' GLN . 21.8 t 72.22 -58.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . 0.413 ' CE2' ' CZ ' ' A' ' 476' ' ' PHE . 16.2 p90 -128.64 143.38 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 156.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 2.3 m -171.46 -63.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 44.2 p -134.1 39.84 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.88 77.3 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -151.49 126.84 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -163.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.54 -19.08 62.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -162.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -52.15 -46.97 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.226 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 46.21 56.85 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 m -163.59 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -134.43 146.58 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 170.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.91 132.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 20.0 p -123.91 98.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.84 126.37 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.64 114.61 23.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.642 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.14 131.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -171.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.13 142.28 51.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -113.51 124.28 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.283 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 173.22 -126.1 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -166.95 75.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 70.89 -169.72 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 158.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 68.41 -160.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.614 1.196 . . . . 0.0 109.293 -175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -68.01 144.16 55.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 -172.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.04 65.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.35 -11.59 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -96.12 -10.38 28.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -115.26 151.14 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -167.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -87.35 110.3 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.301 -158.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 13.6 p -71.86 144.32 49.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.82 14.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 171.347 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -161.39 136.85 4.61 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -158.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -157.03 139.46 14.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.803 . . . . 0.0 110.317 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.53 145.84 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -139.25 160.28 40.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 -169.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 13.2 tp -156.89 142.4 17.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.85 150.91 23.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -166.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.56 34.21 1.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 35.0 mm -85.65 78.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.256 164.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.2 t30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -166.253 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.31 137.26 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 -168.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -144.45 142.02 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.253 167.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.01 108.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 97.6 m -88.37 145.17 25.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 -172.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . 0.413 ' CZ ' ' CE2' ' A' ' 426' ' ' PHE . 92.2 m-85 -128.75 89.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 174.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.95 122.84 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.6 tt -102.98 129.99 53.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -95.91 179.58 5.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.57 70.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -172.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.14 -18.05 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.04 20.73 52.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.7 mt -96.25 138.99 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 168.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.87 119.15 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 172.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -92.16 110.52 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.523 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 73.6 t -107.11 116.41 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 4.6 m -137.47 139.7 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -162.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.45 145.0 49.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -141.1 104.4 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.12 124.68 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -68.34 -33.19 73.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 169.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -70.0 -46.57 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.319 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 4.8 t -90.83 -20.33 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.23 3.14 82.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.909 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -81.75 151.11 27.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 109.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -143.97 145.76 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 158.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.38 164.11 27.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -140.29 147.32 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.5 135.78 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 170.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 34.6 p -116.64 120.8 39.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 110.377 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.438 HD11 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.81 125.44 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -175.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.81 145.77 44.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -117.84 102.36 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 47.1 t -71.11 87.26 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 58.4 m -76.77 71.42 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 172.587 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 43.7 t -43.76 115.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.053 175.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -94.91 119.94 34.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -138.26 -172.28 12.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.939 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.68 172.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.331 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 121.23 24.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 161.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 2.7 p -112.06 173.8 6.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 59.4 mtm -49.59 143.0 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -163.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 92.6 1.52 68.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.412 1.07 . . . . 0.0 111.038 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.69 60.39 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.41 137.66 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.23 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.46 148.27 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -141.29 120.57 13.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 22.8 m -79.9 117.55 20.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 156.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . 0.415 ' O ' ' CG2' ' A' ' 412' ' ' ILE . 0.0 OUTLIER -115.23 1.43 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -172.361 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . 0.415 ' CG2' ' O ' ' A' ' 411' ' ' LEU . 3.0 pt -157.52 151.65 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 147.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -91.39 170.12 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -168.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 415' ' ' ASN . 20.1 mmtt -38.81 130.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 414' ' ' LYS . 51.5 t30 80.66 -61.99 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 174.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 417' ' ' THR . 85.9 m 37.26 60.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.453 -161.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 416' ' ' THR . 57.0 m 40.38 76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.44 157.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.8 pt -67.47 173.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -163.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.97 -39.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 7.7 t -166.34 159.0 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.64 135.3 46.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -175.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -137.16 163.52 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.637 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.0 t -145.97 -71.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -85.34 63.1 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 11.0 m -90.19 -24.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -153.38 39.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 157.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 7.2 p 58.48 -165.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 20.6 m -78.69 71.32 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 169.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.31 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -156.79 98.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -166.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -67.39 -28.19 67.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.51 -40.35 96.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -174.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 46.45 70.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 -168.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.15 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -169.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -158.67 129.31 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -174.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 30.8 m -78.41 91.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 28.0 p -87.21 89.89 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.83 102.07 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.386 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.43 110.35 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 160.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.48 124.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.76 150.42 36.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -166.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -133.09 165.63 24.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 149.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.62 -175.97 42.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -147.94 131.34 16.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 0.764 . . . . 0.0 110.246 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.0 21.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 166.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.6 tttm 68.76 -70.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -169.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -74.73 134.81 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.9 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.07 -8.91 59.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -162.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -107.11 0.1 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -92.29 161.16 14.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.25 82.59 6.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 19.8 m -64.24 158.95 21.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 34.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 127.11 -167.09 19.65 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -161.17 161.95 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.294 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.14 148.0 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 170.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -137.49 151.18 48.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -172.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.64 127.62 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 16.8 p-10 -100.84 161.28 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -169.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.3 30.4 14.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.1 mt -112.59 136.98 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 -171.586 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.4 tp -147.52 115.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -162.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.15 129.1 37.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 163.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 42.7 t -104.45 98.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 133.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.31 144.08 54.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.377 -171.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -138.5 89.1 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.96 123.22 40.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -166.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.12 123.39 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -87.71 167.39 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -173.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.65 71.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.14 -17.16 61.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 22.55 22.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 16.8 mt -91.33 139.73 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.4 104.59 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.51 113.78 21.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.45 133.55 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 91.7 p -158.17 170.54 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.94 139.03 44.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -141.23 102.08 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -170.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.04 117.16 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.95 -32.44 69.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.95 -49.0 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 30.9 t -83.43 -27.89 29.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.035 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 86.05 9.86 76.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 29.0 tttt -69.45 146.44 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -159.04 109.99 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -169.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -139.05 139.3 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 155.6 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -159.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.13 128.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 2.4 p -109.63 127.53 54.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.372 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -132.17 116.55 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.41 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -59.31 145.4 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -68.35 77.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 2.8 t -74.38 -173.88 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -162.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.9 t -150.84 153.56 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.069 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.259 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 57.5 m -62.96 88.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.5 tp -84.21 137.19 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 163.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -140.65 174.97 22.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.89 158.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.71 102.53 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 172.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 404' ' ' MET . 65.4 p -108.55 -174.4 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 164.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 403' ' ' THR . 4.1 mmt 3.33 87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -161.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 87.58 -71.29 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 152.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . -163.96 43.07 0.32 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.0 p -133.87 135.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.76 138.18 41.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 53.4 m -110.84 122.75 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.393 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.8 m -59.71 99.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 169.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.38 -28.37 61.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.89 151.46 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -101.83 155.9 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.21 -29.64 69.94 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -111.76 60.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.2 m -98.4 25.68 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 167.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 27.5 m 60.93 69.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.411 ' CG2' ' HA ' ' A' ' 419' ' ' PRO . 19.5 mm -66.43 147.55 98.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.411 ' HA ' ' CG2' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 165.24 86.4 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.049 -15.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 1.4 t -155.07 157.51 37.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -162.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -144.28 131.13 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -143.13 136.1 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.588 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.45 160.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 60.04 30.99 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.08 20.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -146.67 99.87 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -77.3 146.15 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -175.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 14.9 p -79.51 71.79 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.42 99.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.4 133.8 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.34 -17.8 62.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.58 -40.43 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 49.13 49.22 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.1 t -168.21 -47.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.039 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -121.58 -179.31 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.74 132.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 164.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 41.4 p -133.63 99.13 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -169.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.21 125.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -96.85 120.42 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 149.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 t -81.33 120.04 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 172.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.08 135.0 35.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -111.23 163.26 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 171.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 119.68 156.96 10.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.073 . . . . 0.0 111.027 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -84.69 67.82 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.272 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -133.86 130.05 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -74.82 -32.71 62.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -78.54 126.04 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.74 83.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -169.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -91.78 37.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -168.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 1.6 11.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 165.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -118.03 164.69 14.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -155.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -77.83 95.42 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 -172.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 85.4 p -62.0 146.12 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 170.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.43 37.15 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 141.69 170.29 12.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -164.22 157.17 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.64 160.34 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -136.16 156.58 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -144.97 116.74 8.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 166.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -94.44 118.3 31.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.11 48.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.81 66.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.432 0.725 . . . . 0.0 109.259 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -170.868 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.3 tp -83.93 145.5 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -168.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.31 134.33 50.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 154.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.38 128.76 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 85.3 m -97.81 145.11 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -140.73 89.65 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.948 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -137.16 124.82 22.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -155.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.92 123.6 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.09 173.6 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.33 -28.41 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.334 -168.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.33 -17.96 63.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.48 22.36 37.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.52 139.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.35 114.18 13.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 165.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -86.43 121.28 28.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 159.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.0 t -125.46 131.21 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 99.2 p -154.18 140.99 19.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -116.23 137.54 52.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -143.27 140.79 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.94 126.44 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.252 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.66 -16.02 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -64.38 -57.63 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 34.9 t -92.36 -29.6 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 4.29 78.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.57 160.19 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.81 147.68 27.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 110.307 -158.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -133.36 137.24 45.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 147.75 49.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -156.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.33 132.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.086 . . . . 0.0 109.384 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.4 p -116.25 126.06 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.53 122.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -174.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -57.3 132.37 52.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -142.14 47.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.8 t -152.84 134.16 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 22.4 m 51.99 79.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.974 -174.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.313 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 169.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.081 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . 0.47 ' CD2' ' HB ' ' A' ' 440' ' ' VAL . 0.3 OUTLIER -148.82 78.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 170.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.36 153.12 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.43 1.082 . . . . 0.0 111.029 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 14.9 pt -101.93 150.61 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.325 -167.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.33 99.05 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.69 -179.61 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.397 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 73.8 mtp -47.16 128.0 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 -165.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 91.9 25.69 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 168.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 64.72 34.82 90.91 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.7 p -114.93 139.62 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 26.0 ttt -76.4 128.71 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 85.1 m -111.61 115.6 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 162.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 20.2 m -71.95 68.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.437 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 52.0 tp -73.4 -27.1 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.76 136.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 174.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -108.84 166.21 10.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.45 116.94 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 54.66 60.13 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -170.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 63.0 m -51.64 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.429 ' C ' ' CG2' ' A' ' 418' ' ' ILE . 1.1 m -161.19 -32.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 110.351 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.429 ' CG2' ' C ' ' A' ' 417' ' ' THR . 14.9 tt 49.49 80.53 0.29 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 144.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 147.33 89.03 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.984 16.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 14.2 t -163.36 -175.44 4.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 152.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.85 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 177.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -130.74 160.08 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 165.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 65.5 p -141.04 142.41 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.058 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 61.38 -162.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 4.1 t 54.24 47.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -158.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -150.03 145.6 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 111.076 165.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.3 p -164.03 167.34 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 48.8 p -91.99 144.95 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.47 -61.01 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -89.51 139.05 30.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.342 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -68.36 -29.46 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.58 -41.2 94.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -86.11 77.27 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.3 m -84.03 44.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.023 -169.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -150.66 133.38 15.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -160.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 436' ' ' VAL . 16.9 m -80.61 90.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 175.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 437' ' ' THR . 11.3 t -84.6 105.14 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 162.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.64 100.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 168.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -67.0 139.66 57.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 143.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 399' ' ' LEU . 0.0 OUTLIER -111.6 142.07 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 162.321 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.2 117.43 21.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -162.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.39 132.14 34.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 172.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 140.53 -155.78 24.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -155.73 90.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 0.782 . . . . 0.0 110.38 170.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -137.86 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.226 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -77.32 -50.94 11.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -86.65 137.06 32.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.12 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -167.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.56 -6.38 33.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -111.37 145.29 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -167.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -86.77 96.06 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -154.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 83.5 p -63.58 156.87 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.51 30.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 169.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.12 174.64 13.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -157.18 168.78 26.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.02 147.53 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 168.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.97 133.55 46.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -139.89 122.64 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -100.38 120.0 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -166.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 153.34 52.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 tp -71.99 156.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 169.748 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 8.1 tp -78.23 144.88 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 148.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.41 105.57 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 171.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.78 118.14 52.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 26.6 m -101.93 145.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -131.61 89.12 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 170.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.08 121.56 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -166.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.17 125.75 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.97 168.43 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -167.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.81 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -17.62 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.81 9.71 57.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.73 137.49 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.5 tp -91.91 106.6 18.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 159.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -75.21 123.1 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 161.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.25 138.62 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 43.7 p -153.24 154.97 35.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.63 139.13 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -123.85 113.67 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.01 107.04 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.59 -16.07 61.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.98 -55.71 17.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 21.7 t -102.92 -11.69 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -166.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 82.59 10.39 83.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -80.47 160.91 25.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 6.1 pt-20 -147.29 159.56 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 155.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.17 154.42 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.448 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -140.16 148.6 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -171.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.65 121.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -178.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 20.5 p -105.12 125.36 50.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -130.59 142.84 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 178.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -100.43 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -153.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 50.89 45.66 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 58.1 m -149.26 156.65 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 11.7 t 54.67 53.21 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.078 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 41.5 m -53.52 132.94 40.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 109.96 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 9.2 tt -135.39 135.89 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -129.32 -179.53 16.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 162.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.26 156.03 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 0.0 109.334 171.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -79.06 102.64 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -173.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -101.23 179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 44.1 ttm -49.57 131.51 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.932 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 106.05 -14.76 44.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.73 7.33 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.8 p -133.5 133.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.245 -167.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 5.0 ptm -82.37 84.66 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -172.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 81.3 m -68.04 99.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 85.0 m -62.0 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 165.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.21 -38.86 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.03 151.34 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 172.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -88.1 162.17 16.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.4 -35.83 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -93.37 50.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -26.77 66.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 157.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 5.5 m 64.16 31.5 13.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.434 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 62.27 170.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 157.16 43.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.035 -2.486 . . . . 0.0 111.019 -73.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 2.3 t -169.23 131.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -101.42 119.74 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -114.92 164.71 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.643 166.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.26 157.52 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 426' ' ' PHE . 8.9 tp-100 59.37 -114.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.632 1.208 . . . . 0.0 110.269 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 94.5 t 44.06 -73.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -141.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 424' ' ' GLN . 35.9 p90 -109.61 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 57.8 p -145.36 -67.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.99 133.92 54.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -160.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -83.91 -22.41 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.593 1.183 . . . . 0.0 109.346 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.24 107.65 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -77.14 -24.04 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -170.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -78.85 -4.49 49.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -9.51 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p 68.22 16.6 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -152.33 171.01 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.72 139.72 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.1 p -127.34 95.83 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -166.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.81 106.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -100.97 98.69 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.558 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.08 121.32 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 157.03 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 177.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.95 161.0 37.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.93 154.27 10.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.52 97.68 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.37 169.25 18.66 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.603 1.19 . . . . 0.0 110.333 174.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -92.14 -57.02 2.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.087 . . . . 0.0 109.278 168.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -90.65 142.27 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.233 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.24 79.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -167.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.54 -7.66 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -164.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.68 14.83 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -111.59 160.25 17.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -72.78 130.15 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.378 -168.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 71.2 p -79.62 158.25 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -164.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.13 57.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 66.8 177.71 8.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 169.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.62 161.43 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.278 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.41 141.03 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -123.39 158.86 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -171.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -147.46 121.87 9.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -113.11 90.15 3.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -167.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -162.29 36.09 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.31 141.92 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 26.6 m120 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.68 130.7 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 -157.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.03 124.93 44.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 163.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -107.67 119.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.097 . . . . 0.0 109.342 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -83.31 143.15 30.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.364 -172.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 426' ' ' PHE . 48.7 m-85 -140.47 90.87 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 167.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -132.85 122.23 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -152.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.5 mm -86.05 118.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -78.23 168.15 20.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.26 -17.47 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.24 11.43 56.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.5 140.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 109.345 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 1.1 pp -88.28 105.63 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -87.04 131.18 34.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.2 t -119.21 144.48 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.2 t -156.41 168.27 27.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.069 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.58 21.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 125.96 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.3 124.46 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -73.81 -19.41 60.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -78.24 -52.02 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.3 t -88.84 -26.75 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -171.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 11.27 67.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -77.24 151.85 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -146.69 133.35 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.227 149.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -136.61 161.11 36.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 164.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -149.06 150.61 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 -155.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.65 138.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -175.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.9 p -116.84 125.98 52.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.08 134.2 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -178.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -88.9 155.53 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -95.86 61.23 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 42.0 p -169.18 168.03 10.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 8.3 t 67.02 99.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.057 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 111.017 171.639 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 35.4 m -56.18 135.01 53.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -111.53 123.5 50.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -146.5 176.68 25.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.927 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.79 163.44 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.346 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -79.09 89.17 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 22.9 p -79.39 164.65 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 51.5 ttm -51.03 119.2 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.33 -25.28 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -169.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.95 9.02 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.08 134.51 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.48 99.02 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 99.2 m -85.8 101.16 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 93.7 m -65.31 96.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 161.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -16.62 46.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.5 tt -150.76 134.19 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -166.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -96.35 164.07 12.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.96 -34.81 70.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -120.4 61.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 417' ' ' THR . 65.0 m -73.78 62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 170.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 416' ' ' THR . 70.0 p 37.84 68.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.77 165.76 49.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -165.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 96.5 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 -26.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 12.9 t -164.0 175.55 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.432 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -127.12 128.75 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -103.69 91.72 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 162.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 11.3 p -71.69 130.34 40.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 168.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -160.0 133.14 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 110.272 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 5.8 m -89.13 148.62 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.205 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.59 136.1 38.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 71.9 m -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 22.1 p -79.46 99.91 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.375 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.63 64.34 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -167.57 69.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 110.263 -172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.03 -29.14 68.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -168.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.54 -33.76 76.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -102.59 126.42 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 99.4 p -78.43 64.0 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.948 167.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.88 174.53 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -166.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.35 121.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.9 m -104.51 114.5 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.35 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 168.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.45 98.91 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.53 141.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.68 141.79 51.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 159.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.73 135.9 52.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.03 -148.2 12.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -147.11 39.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.323 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -120.34 147.41 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -77.24 -41.98 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -80.75 142.92 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -17.9 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 0.0 109.337 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.39 60.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -109.98 -2.96 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.26 144.68 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -167.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -92.91 122.45 35.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -154.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 20.7 p -82.95 142.07 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.997 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.19 -14.18 19.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 121.22 -156.28 16.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -168.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.14 160.82 42.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -168.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.02 136.29 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.26 160.22 23.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -165.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.72 121.51 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -105.61 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -165.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.58 19.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.5 tt -71.82 167.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.7 m120 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 175.838 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 31.3 mm -106.88 91.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.54 72.56 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 176.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 73.8 t -82.44 91.52 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 158.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 12.4 m -90.18 143.81 26.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 -159.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -108.06 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 164.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.2 120.67 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -165.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.8 tt -100.69 128.25 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.49 175.25 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.196 . . . . 0.0 109.292 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.11 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.26 -17.6 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.32 53.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.22 137.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 0.0 109.305 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.61 103.11 11.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 171.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.12 98.83 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 168.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.67 111.16 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.0 p -98.96 166.15 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.933 -172.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -138.91 98.74 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 152.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -106.08 103.35 12.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.6 124.15 39.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -172.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -64.84 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -67.32 -47.47 70.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 5.9 t -90.31 -30.75 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.014 -172.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.15 5.95 79.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -80.79 158.96 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.81 106.8 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 150.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -115.57 142.77 46.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 110.321 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 155.45 45.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -162.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.78 131.78 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.99 121.87 39.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 4.8 mt -134.93 114.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -167.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -77.57 137.43 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -171.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -88.11 59.73 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 35.0 p -163.64 57.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 32.5 t -168.67 55.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.026 -174.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -175.699 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 39.3 m -63.86 109.37 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 48.8 tp -88.01 132.78 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.41 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 167.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 5.2 pt -133.13 162.67 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.306 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -78.42 110.5 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 164.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 21.3 p -99.82 151.56 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.25 124.68 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 -157.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 133.39 -20.34 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.094 -167.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.36 29.32 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.48 137.71 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -169.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.8 tpp -68.13 123.48 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.0 m -111.2 110.61 21.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 164.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 87.1 m -66.87 87.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 170.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -49.06 -52.96 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 11.0 pt -147.44 160.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -87.44 166.98 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -167.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -34.25 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -120.82 61.17 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 417' ' ' THR . 32.3 m -74.97 63.07 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.187 . . . . 0.0 110.363 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 416' ' ' THR . 14.7 p 34.66 75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.422 168.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.2 pt -74.49 168.58 25.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -164.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.08 32.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.945 -31.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 10.9 t -164.26 178.09 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.8 127.89 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.324 -172.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.39 165.32 20.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.681 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 5.4 m -143.65 -62.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 69.12 158.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.311 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.55 128.02 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 158.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -151.68 121.77 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 111.062 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.7 m -72.96 141.27 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -163.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 22.8 p -82.55 94.8 7.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.46 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.22 68.09 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -158.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.8 84.61 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.7 t70 53.42 -94.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -121.25 -1.68 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -165.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -105.04 157.54 17.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.239 -158.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 69.7 m -76.3 66.45 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -157.07 167.41 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -170.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.8 p -126.47 132.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 5.9 t -114.36 122.8 47.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.384 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -108.04 106.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 170.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -97.74 102.58 14.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 165.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.85 120.07 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.19 155.15 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.24 144.96 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 168.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 134.57 -83.29 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -167.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.3 -28.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -60.36 -153.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 153.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -55.73 148.82 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -168.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.06 61.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.45 -10.71 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 -166.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -113.32 11.76 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -111.65 134.55 53.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -171.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -79.68 115.86 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -155.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 94.3 p -70.98 157.06 38.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.073 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -156.39 35.9 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.43 164.43 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.7 161.1 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.57 138.91 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -133.53 157.66 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 18.3 tp -126.79 115.84 19.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . 0.407 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 12.8 p-10 -99.2 145.87 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -174.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.56 44.47 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.3 mt -106.24 101.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 109.252 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 -176.03 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 11.4 tp -131.89 155.92 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -155.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -140.2 125.66 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.278 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 13.8 t -116.41 115.49 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' THR . . . . . 0.448 ' OG1' ' NZ ' ' A' ' 489' ' ' LYS . 0.2 OUTLIER -92.26 144.17 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -172.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -130.71 89.29 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 161.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -127.69 124.13 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -161.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.1 mm -81.62 126.52 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.16 169.35 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.38 -31.56 72.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -171.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.54 -17.59 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.55 22.22 27.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.12 134.62 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 101.68 11.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -73.93 122.84 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.623 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 78.1 t -120.23 134.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 94.7 p -153.47 152.76 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.76 50.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 168.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . 0.448 ' NZ ' ' OG1' ' A' ' 475' ' ' THR . 0.0 OUTLIER -145.0 125.89 14.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -178.291 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.25 125.83 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -75.02 -28.09 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -81.95 -46.11 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.268 -172.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.4 t -91.43 -34.45 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -172.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.31 7.07 77.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 75.4 tttt -80.87 140.6 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.22 157.24 38.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.277 -169.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.65 144.31 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 172.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -110.14 160.03 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -175.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -149.59 125.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 168.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.68 127.15 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -177.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.02 125.29 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 -175.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -64.76 138.13 58.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -83.95 96.02 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.1 t -76.9 -168.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 -165.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 78.1 p -142.49 35.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -177.866 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 42.3 m -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 4.8 tp -79.69 107.78 12.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 156.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.78 145.65 17.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 165.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.98 156.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -174.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.35 104.9 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.2 OUTLIER -121.22 -173.7 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 -173.516 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 403' ' ' THR . 5.6 ttm -35.63 122.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 95.17 2.54 62.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 70.71 31.51 67.6 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.43 141.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.267 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.98 68.32 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -174.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.4 m -53.06 109.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 82.8 m -67.1 84.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 10.5 tt -67.82 -55.03 14.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 168.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.91 132.43 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.48 163.02 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -170.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -59.3 109.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.21 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.9 t30 59.06 60.37 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.391 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 37.8 m -49.53 -72.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 418' ' ' ILE . 83.6 m -155.87 -40.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 419' ' ' PRO . 18.8 pt 42.75 79.08 0.35 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 166.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 159.0 98.65 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.085 15.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 157.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -144.57 135.31 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -150.92 138.78 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.613 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 94.0 p -141.01 164.19 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . 0.517 ' O ' ' C ' ' A' ' 425' ' ' VAL . 0.0 OUTLIER 76.73 -51.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 178.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 424' ' ' GLN . 4.8 m 35.06 -115.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 150.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -94.05 165.92 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 4.6 m -159.5 -68.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 169.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 36.3 p -142.46 156.02 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.432 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.05 -63.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.7 165.37 17.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.82 -22.23 64.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.203 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.38 -27.96 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.53 83.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 53.2 m -88.13 -3.85 58.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 152.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -140.44 -178.16 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.99 136.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 154.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 71.6 p -133.67 78.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.358 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.92 114.74 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -99.98 108.11 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 169.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 52.7 t -71.74 122.95 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 159.74 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -132.65 149.38 52.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.87 -163.38 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -160.09 82.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.294 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 447' ' ' ARG . 0.8 OUTLIER -156.74 40.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 68.75 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 167.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 445' ' ' ARG . 1.8 mtt85 -73.9 150.91 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -171.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.55 -25.16 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.3 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.83 26.84 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.8 150.33 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 -175.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -81.75 118.29 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -159.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 17.4 p -67.4 148.03 52.12 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.87 46.11 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 109.361 164.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 104.67 -179.95 24.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -156.43 169.49 24.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -173.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 155.24 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 166.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -137.27 154.42 50.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 4.3 tt -154.62 127.11 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 109.335 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -114.78 158.78 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -154.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.0 41.29 4.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.4 tt -101.85 158.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.2 tp -149.75 120.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.45 92.42 4.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -172.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 19.8 t -91.99 147.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 164.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -128.13 143.59 51.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -137.97 89.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.951 161.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -122.97 123.62 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.4 126.76 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -171.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -81.02 166.72 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.5 70.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.32 -17.71 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.13 22.64 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -95.86 136.43 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.98 110.25 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 161.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.32 115.51 22.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.588 164.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 71.3 t -114.3 143.56 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.1 p -158.62 157.78 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.025 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.55 149.61 49.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -154.16 127.65 8.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.13 124.65 34.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -65.64 -32.39 73.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.24 -54.05 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 12.1 t -83.04 -18.66 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.028 -167.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 83.68 11.01 80.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 171.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.52 154.09 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.19 129.76 12.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 167.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -146.93 139.45 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -142.02 149.25 39.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -162.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.26 119.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -169.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.3 p -101.9 129.75 48.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -131.3 114.79 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 178.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -64.07 156.17 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -53.0 128.97 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 163.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 46.9 t -139.6 163.66 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 -159.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 89.6 p -119.25 17.05 13.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -168.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 5.9 t 62.38 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.9 82.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 162.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -91.72 179.59 41.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 476' ' ' PHE . 1.5 pt -115.67 144.37 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -177.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -78.84 78.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 37.0 p -93.61 174.31 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -50.1 128.87 19.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 111.01 -166.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 115.83 -22.36 11.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -167.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 73.89 43.91 32.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.51 137.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 -169.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.1 73.98 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 83.7 m -60.6 115.25 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.1 m -68.36 89.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -55.13 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 175.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.5 pt -144.36 167.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -94.44 167.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 -155.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -67.14 124.4 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 35.0 m120 48.22 61.68 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -165.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 5.9 m -39.7 -60.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 110.364 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.482 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 170.23 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.422 -171.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 417' ' ' THR . 0.8 OUTLIER 60.74 165.97 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.41 7.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.958 -50.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 6.8 t -148.78 143.55 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -156.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -110.65 129.07 55.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.41 159.33 27.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 160.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 15.6 m -161.04 -63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -78.28 85.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -169.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.67 -59.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 401' ' ' ILE . 32.4 p90 -127.37 168.18 15.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -149.41 -167.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 68.4 p -90.93 167.61 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.47 -59.11 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -172.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -88.99 103.74 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -71.79 -29.79 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -169.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.9 -42.76 90.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -166.97 117.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 p -153.0 176.48 11.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -176.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -136.07 137.64 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 34.2 m -83.54 81.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -78.61 81.72 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.56 131.1 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.93 151.64 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.567 135.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.77 126.98 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 166.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.25 139.87 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -166.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.78 155.82 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 177.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 148.38 -152.04 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -142.57 39.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -127.69 158.99 36.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.26 -54.53 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.379 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -87.38 151.37 23.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.25 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.99 -24.81 55.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -165.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.45 -8.47 57.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -170.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -104.49 4.79 33.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.61 152.63 35.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -162.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -88.15 103.83 16.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -165.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 33.6 p -68.21 148.39 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.49 32.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 171.78 95.8 0.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.0 137.93 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 110.292 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.91 122.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.7 159.01 21.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.55 118.78 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -97.75 156.45 16.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.12 41.8 3.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.08 136.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.575 0.809 . . . . 0.0 109.288 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 176.719 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.46 ' O ' ' CG2' ' A' ' 472' ' ' ILE . 0.1 OUTLIER -122.57 107.49 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 167.19 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.45 159.99 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 22.2 t -105.73 125.75 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 167.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.16 141.78 34.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . 0.423 ' CZ ' HD12 ' A' ' 401' ' ' ILE . 57.5 m-85 -133.43 93.37 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.41 121.32 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -163.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.2 mm -87.24 118.85 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -79.35 166.61 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.17 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.17 -0.01 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.06 22.29 23.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 166.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -89.47 122.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.29 99.36 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -85.15 103.59 14.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 109.632 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 93.9 t -102.66 125.25 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.9 p -151.83 158.79 43.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -136.42 129.72 31.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -118.3 108.85 15.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -96.43 125.98 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -77.1 -16.84 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 167.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.26 -57.46 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -172.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.1 t -104.78 -3.71 23.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.52 -5.3 84.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 170.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -74.72 160.46 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 -167.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.68 110.93 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -138.54 155.86 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.11 162.4 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -162.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.34 133.94 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 174.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.3 p -121.01 122.74 40.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 110.388 -173.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.22 127.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -177.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -56.74 130.24 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.36 28.37 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 29.3 t -64.89 -52.23 57.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.948 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.0 t 63.52 92.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 152.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.412 1.07 . . . . 0.0 110.955 165.819 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.5 m -73.65 109.56 7.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -78.76 108.41 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 167.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -120.18 169.47 13.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 29.6 pt -130.59 147.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 0.0 109.288 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.79 112.28 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.45 168.71 13.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 32.3 ttm -47.71 130.81 14.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -166.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 110.45 -20.68 25.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.047 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 77.29 50.64 6.58 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.12 138.88 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 409' ' ' THR . 0.0 OUTLIER -80.99 64.36 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -173.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 408' ' ' MET . 2.3 m -40.34 132.05 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -169.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 50.0 m -65.96 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.5 -62.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.0 142.73 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 416' ' ' THR . . . -95.68 162.49 13.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -61.13 112.52 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.3 m120 58.0 60.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -173.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 413' ' ' ALA . 42.4 m -53.51 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.38 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.3 t -166.2 -45.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.42 143.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.444 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 2.9 mt 69.64 134.28 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 169.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.3 Cg_endo -74.99 153.88 99.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.957 -2.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -166.4 170.38 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -142.6 139.81 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -118.28 164.56 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.556 159.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.9 p -173.95 -51.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -169.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -36.83 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 -174.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.6 59.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . 0.44 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 10.5 m-85 -168.87 166.34 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 81.2 p -158.77 144.47 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.963 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 41.9 p -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -105.52 118.28 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -152.93 112.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.357 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.09 -17.99 60.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -54.7 -50.49 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.33 167.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -170.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.0 m -78.04 61.51 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.63 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.23 112.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -168.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 30.9 m -117.31 99.83 7.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.89 117.24 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.18 114.63 26.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.587 160.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.87 128.73 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.239 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.67 149.69 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.79 140.28 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 173.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 163.2 -150.89 20.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.96 38.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.249 151.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -97.59 128.29 44.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -41.07 55.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -154.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.96 136.57 40.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.3 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.04 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.33 60.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -105.98 -1.17 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -111.45 146.53 37.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -80.46 100.61 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 -162.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 35.5 p -68.52 154.62 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 170.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 0.0 OUTLIER -149.6 30.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 140.51 177.07 15.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.02 171.08 19.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.252 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.76 159.83 40.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 167.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -132.37 153.57 50.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -173.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -138.55 111.02 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 163.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -84.64 149.27 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.07 1.05 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.84 154.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 47.6 t30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 172.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 6.8 mm -96.48 141.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -130.15 167.98 17.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.25 149.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 t -127.72 113.19 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 164.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.97 141.62 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . 0.44 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 64.8 m-85 -131.16 88.6 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.07 125.06 49.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -166.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.9 tt -106.07 133.0 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -99.54 -179.09 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.18 71.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -172.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.12 -16.47 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.73 22.26 43.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.35 127.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 107.69 8.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 167.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -87.57 91.29 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.61 168.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 71.8 t -101.25 123.51 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.9 p -151.65 136.21 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 -165.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -108.89 124.99 51.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -114.76 129.76 56.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -162.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.96 103.67 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 159.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.11 -26.56 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -160.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -82.64 -41.38 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.8 t -87.79 -30.52 20.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -169.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.19 74.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.72 160.02 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.261 171.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -164.5 166.41 20.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -130.7 154.1 48.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 152.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.62 146.56 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -162.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -142.78 122.94 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 42.8 p -102.3 129.59 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.74 120.63 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 178.495 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -70.16 110.29 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.332 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -109.26 27.67 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.235 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 21.7 m -65.6 -48.29 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 p -167.43 156.08 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 178.013 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 29.3 m -65.83 167.96 8.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -133.3 116.44 16.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -128.25 168.73 20.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.5 pt -116.36 161.72 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -79.18 125.25 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 19.4 p -129.74 176.82 7.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.458 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 8.5 mtt -41.76 134.18 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 102.78 -4.91 50.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.423 1.077 . . . . 0.0 110.961 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 62.09 44.93 97.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.4 p -127.36 139.92 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -165.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.93 125.04 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 177.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.1 m -110.36 103.95 12.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.387 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 46.5 m -64.06 87.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.72 -32.26 21.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.68 139.96 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -111.63 167.06 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 178.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.57 99.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.3 t30 59.77 61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 1.9 m -30.95 -61.28 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 156.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' THR . . . . . 0.458 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 173.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 179.443 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 417' ' ' THR . 1.2 pt 57.4 168.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.47 3.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.007 -34.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.9 t -132.85 142.34 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -147.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -143.1 122.49 13.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -162.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -168.06 161.37 12.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.0 p -78.94 -48.51 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 61.49 28.53 17.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -165.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 23.5 t 58.83 77.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 60.2 m-85 -134.81 43.46 2.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 161.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 31.8 t -56.11 -64.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.8 p -140.99 127.0 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 159.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.92 46.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -129.58 102.71 6.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 110.288 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -74.07 -5.74 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.47 -47.94 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -173.74 179.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -173.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 26.0 p -68.7 67.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 166.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.96 178.87 8.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.371 -167.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.8 p -132.69 90.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 165.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 64.4 p -101.92 102.01 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.72 103.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -78.91 119.27 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 150.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.51 124.93 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.71 146.02 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -165.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.41 144.3 46.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 170.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -126.1 2.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -173.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -152.1 64.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 -168.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 71.01 -175.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 159.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 72.2 -172.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.368 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -49.28 132.82 19.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.84 80.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -161.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.59 56.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -169.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.12 -1.92 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.13 159.87 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.55 160.0 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 109.294 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 78.4 p -136.47 160.73 37.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.04 36.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.82 178.48 15.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -158.81 162.91 37.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.54 145.28 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.061 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -135.62 143.77 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 66.3 tp -116.08 92.99 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 155.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -95.55 160.97 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -168.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 84.82 42.23 7.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.4 tt -97.17 158.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.271 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 25.1 m120 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 169.746 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.1 mm -124.55 134.91 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.246 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -108.82 126.63 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 166.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 66.5 t -121.5 120.57 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 164.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.7 m -116.12 128.65 55.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . 0.404 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 20.1 m-30 -111.77 89.16 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 173.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.6 123.37 44.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -155.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.94 116.31 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -81.85 178.28 8.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.92 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.09 -17.46 62.58 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.71 2.78 61.24 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.07 139.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.48 96.6 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 169.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -84.17 90.03 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 6.2 t -88.78 122.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 55.1 p -136.99 139.57 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -171.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.76 136.62 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -142.57 131.35 22.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -155.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.28 126.1 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 170.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -70.21 -32.42 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -161.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -85.18 -57.69 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 7.8 t -87.52 -18.2 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -173.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.83 64.61 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 164.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -81.12 150.59 28.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 0.82 . . . . 0.0 109.283 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.95 166.97 31.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -169.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -145.62 140.91 27.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 156.11 30.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -155.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.56 121.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 168.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 5.2 p -99.59 127.56 45.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -135.19 124.17 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 177.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -76.62 -26.39 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 56.04 61.47 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 64.6 m -83.77 157.35 22.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 99.1 p -81.4 170.82 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.591 1.182 . . . . 0.0 111.038 174.264 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 54.9 m -52.96 142.25 20.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -167.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 10.2 mt -93.04 126.07 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 158.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -114.96 -179.85 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 157.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.93 156.97 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.24 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -84.49 93.84 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 3.8 p -78.65 142.53 37.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.22 134.4 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -161.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 124.93 -17.87 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -162.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 81.06 27.03 51.3 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.9 138.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.96 130.9 35.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 60.5 m -113.98 107.09 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 166.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 17.7 m -65.56 76.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.382 162.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -41.81 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.34 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.01 163.81 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.74 -21.96 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -97.85 60.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 159.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 t -174.13 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.438 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 7.7 mt 67.82 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 158.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.06 172.99 60.24 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.919 18.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 3.4 t -160.15 172.51 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 162.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -145.81 143.87 29.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 168.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -133.19 169.79 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 155.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 18.2 p -156.69 138.56 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.941 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -166.57 133.92 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 42.6 t -88.66 119.49 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 171.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -116.7 38.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 178.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -161.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -122.06 114.93 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.65 87.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -157.69 113.33 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.41 -26.41 64.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -71.48 -17.13 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 53.5 65.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -170.64 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.91 2.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.6 p -131.04 123.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.207 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 99.6 m -110.48 106.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 175.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.79 153.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -150.95 122.67 8.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.64 139.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.27 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -78.52 105.83 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.21 -173.45 42.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.027 -164.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -148.52 93.23 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 75.84 -175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 161.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.5 tttt 74.2 -158.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -170.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -74.74 142.12 44.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.53 80.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.03 -9.62 58.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 -169.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.95 -4.87 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -118.06 153.1 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.83 119.63 25.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -156.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 34.4 p -61.01 148.53 39.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -174.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -163.44 66.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 96.33 144.53 17.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 153.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.04 156.37 42.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 0.807 . . . . 0.0 110.286 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.58 147.74 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.12 149.01 44.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.57 139.13 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 166.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.78 124.38 40.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 158.9 49.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 167.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 31.4 mm -102.64 153.73 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 21.1 mm -125.68 153.1 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -135.02 137.61 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 153.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.48 122.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.44 142.3 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -167.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.32 93.2 3.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.957 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -123.57 121.25 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.235 -165.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.26 126.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -172.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.58 175.26 10.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.02 79.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.3 -20.79 60.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.48 24.06 17.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.1 139.61 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 157.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.07 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 167.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -73.99 110.45 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.597 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 63.9 t -104.6 132.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 172.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 87.8 p -147.42 150.27 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.18 54.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 170.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -133.23 117.79 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -95.45 118.8 32.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -170.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -74.45 -24.7 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -76.77 -53.95 7.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 10.2 t -88.06 -24.86 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -168.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 85.3 8.29 81.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.42 157.67 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 4.5 pt-20 -148.28 151.71 35.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 161.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -166.3 142.9 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -135.82 156.99 47.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -158.614 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -147.1 123.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -174.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 13.4 p -102.2 127.26 49.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -136.56 139.14 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 176.148 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -68.86 140.53 55.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -122.74 18.19 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 161.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 65.0 p -99.63 -72.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 151.01 39.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -170.515 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 2.5 m 62.73 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.95 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.73 101.15 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 165.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -110.76 -177.21 20.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . 0.406 HD12 ' CZ ' ' A' ' 426' ' ' PHE . 13.6 pt -130.94 165.31 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 166.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -78.74 90.92 4.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.299 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 32.7 p -82.66 168.67 17.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.8 ttm -48.62 126.23 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.445 1.091 . . . . 0.0 110.958 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 121.31 -27.23 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -170.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 89.41 32.38 10.47 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.58 134.17 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.331 -163.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 39.3 ttp -74.12 92.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.059 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 49.4 m -83.31 106.59 15.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 25.1 m -74.55 96.36 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 167.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.26 -43.51 94.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 173.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.8 pt -143.93 134.19 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -89.25 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.82 149.21 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.7 t30 56.14 44.31 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 -161.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 20.6 m -39.77 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 162.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 8.1 t -175.54 43.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 162.17 39.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 -140.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.968 -20.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.4 t -156.12 172.5 18.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -149.12 91.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -160.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -89.22 84.06 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.554 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 95.3 p -88.0 149.63 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 110.063 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 56.5 51.26 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.296 172.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.13 -55.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . 0.406 ' CZ ' HD12 ' A' ' 401' ' ' ILE . 59.7 t80 -89.58 151.33 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 428' ' ' THR . 37.9 t -142.74 -162.86 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' THR . . . . . 0.407 ' N ' ' OG ' ' A' ' 427' ' ' SER . 0.7 OUTLIER -78.12 74.65 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.366 -178.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.9 70.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.16 133.83 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -26.09 63.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -156.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.14 -32.57 74.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 48.67 41.49 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 72.2 m -125.12 -56.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -125.85 131.72 52.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.53 134.86 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.07 99.04 4.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 110.401 -169.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.5 mp -92.22 94.34 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -70.75 105.26 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 162.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.77 123.5 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -166.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 453' ' ' SER . 0.0 OUTLIER -167.83 173.28 8.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -175.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.97 160.09 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.332 -154.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -145.36 14.16 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -152.11 43.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 110.29 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -137.25 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 170.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.48 -53.25 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -166.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -87.18 136.6 32.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -162.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.09 81.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.27 9.78 24.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.87 45.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 167.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.83 167.69 24.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 162.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 99.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 -167.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 441' ' ' LEU . 74.5 p -52.95 146.82 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.951 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.51 32.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -171.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 85.84 -156.31 29.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -173.95 142.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -170.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.67 142.85 33.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -136.94 162.61 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 38.2 tp -151.63 139.39 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.12 104.45 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 175.38 52.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.8 mp -122.46 137.98 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 0.803 . . . . 0.0 109.249 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.366 -179.083 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -143.7 121.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -165.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -118.02 100.03 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.67 100.21 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.27 137.39 50.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.93 89.84 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 155.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.77 117.87 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -156.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.4 tt -111.65 128.68 68.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -167.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -94.6 167.32 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.62 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.61 -18.2 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.79 22.42 25.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.62 139.98 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 tp -89.74 117.07 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 166.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -80.11 121.9 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.583 160.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.08 114.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 72.6 p -140.87 113.27 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -159.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -91.67 103.94 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -92.46 100.81 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -74.81 104.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -168.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.18 -44.15 16.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.246 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 24.3 t -80.34 -26.01 38.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.23 70.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.02 155.99 27.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 0.0 109.257 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.16 126.58 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 158.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -134.37 150.46 50.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.23 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 111.55 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -160.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -100.6 123.26 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 25.6 p -101.66 127.74 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . 0.409 HD11 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.69 118.84 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 178.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -52.48 147.39 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.72 95.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.98 -173.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 168.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 m -121.12 -58.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 174.517 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 17.9 m -52.76 102.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 26.1 tp -96.28 115.97 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -116.25 176.33 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 22.2 pt -118.8 144.13 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.263 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.84 112.56 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.8 OUTLIER -133.99 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.378 -167.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' MET . . . . . 0.523 ' C ' ' O ' ' A' ' 403' ' ' THR . 7.8 tpt 1.1 90.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -150.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 99.89 -63.86 0.65 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 166.09 58.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.71 136.52 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 166.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 11.9 ttt -75.45 89.65 2.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -73.4 87.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 110.369 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 61.6 m -61.57 87.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 156.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 9.6 tt -110.62 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 170.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . 0.59 ' O ' ' CG2' ' A' ' 412' ' ' ILE . 0.1 OUTLIER -79.86 65.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 177.186 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.9 169.94 10.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -69.33 -23.75 63.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -103.09 29.6 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -173.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.4 m -79.53 60.31 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 9.4 m 45.29 42.39 7.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.172 . . . . 0.0 110.408 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . 0.403 HG12 ' CA ' ' A' ' 419' ' ' PRO . 0.0 OUTLIER -42.74 142.38 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 174.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . 0.403 ' CA ' HG12 ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.05 157.84 99.32 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.941 -13.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 10.2 t -158.31 160.49 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 167.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.87 87.29 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -161.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.57 161.77 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -167.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.4 m -130.2 -67.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 161.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 43.74 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 10.9 p -46.45 125.56 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -166.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -87.67 157.52 19.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 68.5 m -66.83 116.18 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.939 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.6 p -78.84 88.28 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.07 78.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -138.32 114.03 9.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.28 -26.29 62.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -165.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -69.44 -18.9 63.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 52.44 67.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 29.5 t -159.5 -52.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 -162.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -129.95 176.97 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.29 136.48 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 70.9 p -125.11 120.68 32.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.408 1.067 . . . . 0.0 110.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.2 mp -113.33 125.54 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 149.25 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 140.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.07 135.61 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 162.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 146.81 48.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -165.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -128.71 155.17 45.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 155.29 -95.94 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 111.08 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -159.13 44.67 0.26 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 110.34 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 446' ' ' LYS . 6.1 ttt180 63.11 -165.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 172.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 445' ' ' ARG . 3.2 ttpt 82.3 -161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -59.77 139.01 57.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.08 75.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -167.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.13 -6.3 58.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.03 164.3 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -173.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -69.54 121.02 16.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 5.0 p -94.03 141.47 28.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.022 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.67 56.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -168.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.17 113.26 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -109.24 142.05 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.47 162.74 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.73 164.97 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 48.5 tp -148.42 136.65 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 167.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -96.8 151.17 19.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 109.37 44.53 1.07 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.069 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -78.24 168.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 0.725 . . . . 0.0 109.254 172.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -169.846 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 5.6 tp -158.03 135.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -137.28 146.35 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.24 108.72 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 159.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 137.85 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -140.45 98.46 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.985 168.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.97 122.97 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -148.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.1 tp -115.7 119.01 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -94.71 174.58 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.64 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.52 -18.07 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 92.29 12.61 58.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 172.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.58 139.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.556 0.797 . . . . 0.0 109.32 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 108.76 15.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 168.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -82.96 109.84 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 161.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 92.3 t -111.99 141.65 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.262 170.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 82.6 p -162.34 167.75 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.431 1.082 . . . . 0.0 109.905 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.24 142.69 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 168.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.64 116.09 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -86.33 114.09 22.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -77.98 -27.75 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 -171.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -70.6 -46.35 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 22.3 t -88.95 -23.39 22.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.19 10.66 70.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -80.57 158.53 25.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.09 153.99 33.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 164.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -159.26 141.39 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -157.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 499' ' ' ILE . 0.2 OUTLIER -150.54 118.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -172.572 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 16.8 p -111.24 126.94 55.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.467 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.95 128.93 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -62.67 -44.41 96.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 42.56 79.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -169.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 97.5 p -152.06 142.77 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 18.2 t 60.06 -170.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.671 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 73.8 m -49.89 151.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 158.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 46.5 tp -144.81 76.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -80.49 -173.52 46.68 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.55 160.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.239 -173.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.61 88.19 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.251 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 404' ' ' MET . 2.5 p -79.98 160.34 25.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 174.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 403' ' ' THR . 11.0 mmt 2.4 95.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -144.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . -42.4 110.51 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -148.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 161.19 -43.06 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.24 144.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.9 ttt -92.31 151.45 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.942 -168.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 63.5 m -134.04 108.93 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.398 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 73.3 m -71.54 79.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 165.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.17 -31.29 68.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 170.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -112.5 137.94 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -175.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -119.32 171.58 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -78.61 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.6 23.09 13.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 2.6 m -78.13 11.78 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.421 171.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 54.9 m 83.29 -53.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 148.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 47.9 mt 76.32 145.13 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 159.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.04 81.64 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.075 -2.469 . . . . 0.0 111.008 -13.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 5.2 t -167.16 165.82 15.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.449 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -128.61 119.49 24.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.364 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -114.54 75.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.8 t -77.03 -54.09 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -170.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 57.3 -167.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.3 86.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -85.05 121.54 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 44.8 m -60.22 134.25 56.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.0 m -79.01 93.41 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.385 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.95 77.41 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -145.02 115.33 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -157.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.13 -3.96 58.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 52.66 38.56 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.2 m -116.49 -48.1 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -128.89 -178.58 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.5 p -135.72 144.61 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 167.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -123.96 126.42 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.36 169.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 137.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 172.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.05 139.35 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 153.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.27 129.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 169.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 150.68 44.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -167.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.84 146.64 41.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -172.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 128.41 -98.76 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -171.89 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 110.31 163.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -165.2 35.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 -160.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -132.53 -56.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.248 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 128.04 56.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -175.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.23 92.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -174.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.91 -11.06 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -164.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.14 27.24 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -137.25 157.63 46.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -76.57 119.48 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -168.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 88.1 p -75.7 157.69 33.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -172.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.0 66.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 113.8 113.56 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 151.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -102.33 146.19 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 110.363 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.23 146.83 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.923 167.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -145.08 153.45 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.24 136.86 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -83.97 144.2 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 174.69 -42.7 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -163.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.41 141.68 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -176.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -163.052 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.65 106.01 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -169.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -101.71 107.51 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.49 98.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.9 m -78.74 143.6 36.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.63 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 168.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -120.64 123.38 42.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -162.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.5 tt -80.78 127.3 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.06 170.28 16.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.43 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.88 -16.77 61.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.56 8.09 58.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.5 mt -74.94 141.16 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.246 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.65 98.66 8.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 166.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 118.43 12.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.617 155.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 88.2 t -121.72 134.37 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 166.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -150.08 151.2 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 -170.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -119.48 121.53 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.226 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -112.09 117.69 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 -170.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.8 120.42 31.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -15.72 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 173.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.75 -57.7 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.5 t -97.17 -27.24 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.977 -168.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.39 10.4 70.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -80.29 145.73 31.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.297 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -138.44 93.38 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -84.43 137.02 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 152.06 51.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -161.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.3 136.74 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 175.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 3.0 p -122.81 114.65 20.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.404 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.0 141.97 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 -172.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -92.09 -57.91 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -157.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 58.92 50.77 8.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 167.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 17.9 t -110.36 48.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.2 t 56.47 76.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.925 -178.721 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 49.2 m -54.12 136.92 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 8.9 tp -140.98 107.37 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -106.74 175.8 21.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.6 pt -118.53 168.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 0.723 . . . . 0.0 109.303 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.59 108.97 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 17.3 p -102.68 176.5 5.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.434 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.5 ttm -48.71 127.82 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 100.24 25.72 8.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 170.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 61.36 36.14 92.03 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.12 140.51 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -76.89 144.02 39.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.5 m -135.0 119.18 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 167.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 42.2 m -71.79 80.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 170.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 60.6 mt -83.75 -10.91 57.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.02 142.77 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -115.97 166.35 12.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -166.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -54.34 -44.6 72.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -111.35 50.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.377 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 87.6 m -76.42 61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 170.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.5 m 40.33 59.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 162.48 57.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -168.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 164.32 88.62 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 120.95 -2.521 . . . . 0.0 110.975 -21.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 15.3 t -160.07 174.79 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -150.83 96.54 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -101.08 142.49 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 73.3 p -146.45 69.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 425' ' ' VAL . 0.3 OUTLIER -174.44 174.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -175.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 424' ' ' GLN . 12.0 m 32.57 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 -167.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.591 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 0.3 OUTLIER -145.4 106.81 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 173.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 48.9 m -143.12 153.66 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -173.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -79.86 132.08 36.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.61 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -164.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -84.88 88.17 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -161.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -67.84 -30.94 70.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.45 0.61 57.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -166.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -114.04 -172.21 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.29 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 p -130.74 43.44 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 158.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.17 167.22 30.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -172.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 4.8 p -109.82 143.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 68.4 p -138.68 94.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -80.06 132.98 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -116.62 135.63 53.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 166.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.91 117.25 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -169.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 8.7 mt -118.35 103.49 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -162.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.82 139.42 38.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 114.88 157.17 11.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -103.61 108.83 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.53 136.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -171.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -64.47 -61.64 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.252 -169.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -67.0 139.75 57.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.86 60.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.76 -8.7 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.61 15.13 23.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -131.72 152.74 50.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.56 94.44 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -159.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 96.6 p -75.51 146.95 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 109.982 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 0.0 OUTLIER -148.2 13.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 174.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -166.88 142.0 7.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -160.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -165.85 154.63 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.285 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 148.89 26.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 111.082 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.95 158.1 42.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -168.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 39.4 tp -154.86 130.34 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.86 151.01 24.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.55 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.44 151.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -168.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -155.84 152.87 24.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 167.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.41 151.01 74.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 61.2 5.58 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.27 -37.76 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -129.43 29.43 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 65.3 mtt 44.28 63.2 8.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 111.051 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -149.86 101.5 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.24 174.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -135.1 129.26 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -164.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -135.11 131.72 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.9 132.3 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.66 145.78 37.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 54.2 m-85 -105.13 94.42 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.56 121.75 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.89 129.32 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.93 175.23 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.28 94.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.218 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.87 -17.61 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 96.21 23.8 16.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.8 mt -73.5 131.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.18 105.61 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 171.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -93.1 92.1 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.17 127.03 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -172.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 47.0 t -139.43 127.41 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.97 -158.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -113.68 133.33 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -134.53 115.58 14.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -96.13 110.01 22.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -78.09 -25.07 47.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -76.23 -48.93 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 28.0 t -82.82 -24.97 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.27 70.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.29 141.14 35.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.273 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.42 140.21 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 154.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.45 134.81 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 172.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -150.27 154.28 37.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.244 -163.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.88 134.74 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -165.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 12.4 p -111.65 126.73 55.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.446 HD11 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.04 124.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -56.86 159.2 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -133.72 57.09 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.322 169.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 81.0 p -156.89 159.44 38.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 41.0 t 51.47 81.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -173.25 173.84 45.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 64.1 tp . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 -175.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.7 m -60.84 93.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 166.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 6.8 tt -79.89 127.41 32.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -141.2 145.84 16.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.062 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -92.96 165.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.47 92.72 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.5 p -91.8 146.98 23.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.3 ttm -50.24 133.77 23.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -162.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.95 -17.12 6.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 82.11 31.46 31.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -173.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 13.1 p -140.88 131.92 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -77.49 154.09 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 93.8 m -130.69 113.01 13.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 172.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 63.2 m -65.35 73.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 163.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.53 -19.31 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.3 tt -140.4 149.66 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -139.77 166.93 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -164.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -75.65 -7.91 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.38 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -120.51 60.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 168.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 418' ' ' ILE . 51.1 m -113.8 60.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.182 . . . . 0.0 110.339 164.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 89.4 m 67.18 -75.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.456 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.488 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 29.2 mt 60.78 92.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.3 Cg_endo -75.11 165.53 85.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 20.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 8.8 t -163.35 -178.66 6.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 150.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.65 122.9 15.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -124.67 155.99 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 32.1 t -149.52 51.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -58.63 155.59 12.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.3 134.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -144.12 82.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -60.26 144.92 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.06 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 5.6 p -79.01 123.84 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.58 -6.48 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 -167.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.65 80.26 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 168.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -68.9 -27.02 65.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 109.303 -166.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -71.95 -26.72 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -92.49 135.93 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.238 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 m -82.58 63.13 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.22 172.56 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.3 p -129.6 136.67 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -121.3 110.52 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.374 -172.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.23 134.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.373 170.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -137.91 107.57 6.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 56.0 t -74.31 134.48 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.263 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.92 160.41 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 168.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -156.1 158.42 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.333 165.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 145.18 -142.08 10.47 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.517 1.136 . . . . 0.0 111.06 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -145.32 39.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.19 117.82 16.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 168.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.25 -39.33 68.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 -164.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -61.57 119.19 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.18 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -150.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.84 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.79 -2.14 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -105.07 162.52 13.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -68.63 137.28 54.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 36.7 p -78.29 152.13 32.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 8.1 tp -152.1 53.41 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 77.29 171.57 35.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.31 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.92 137.43 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -177.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -141.72 153.77 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.71 143.98 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.0 175.63 6.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -168.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.74 21.8 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.35 162.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.372 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -110.42 114.39 55.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 171.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.91 17.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.915 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -127.09 80.75 71.1 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 165.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -45.54 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 83.01 -44.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 161.58 -37.58 0.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -63.42 -58.7 14.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -163.071 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -75.01 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -161.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.4 135.83 30.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -137.37 110.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -97.81 126.0 42.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 163.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 48.2 t -108.41 83.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 152.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 6.5 m -68.79 116.21 9.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -93.34 88.57 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.22 120.77 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -163.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tt -104.75 124.06 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.81 167.19 21.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.18 -27.97 69.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.93 -18.0 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.22 13.62 51.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.6 mt -80.52 137.93 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 168.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.68 96.99 10.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 171.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -77.06 95.71 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 109.56 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 56.8 t -96.56 125.31 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 152.45 46.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.08 140.84 46.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.437 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 1.0 OUTLIER -146.99 113.71 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -174.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.65 123.33 39.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.242 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -76.06 -16.13 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 168.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.91 -55.89 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.7 t -102.86 -21.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.72 10.16 70.44 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -80.98 154.7 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.378 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . 0.437 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 19.6 pt-20 -160.07 155.91 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 168.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.04 179.8 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.69 155.17 46.55 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 -159.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -148.11 122.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 170.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 11.6 p -102.38 129.58 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.02 124.58 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 178.064 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -68.8 159.21 32.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 172.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -153.66 144.5 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 4.2 t 63.54 -179.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -160.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 16.1 m 51.63 45.2 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 162.46 -154.84 25.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.107 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 67.7 tp . . . . . 0 C--O 1.208 -1.132 0 O-C-N 124.569 0.805 . . . . 0.0 109.228 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 58.5 m -51.08 112.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 9.7 tt -81.79 133.2 35.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.371 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.94 159.91 28.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 166.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.6 pt -109.63 165.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.376 0.692 . . . . 0.0 109.302 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.93 84.85 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 5.6 p -79.4 178.19 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.451 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 43.4 mtt -42.28 120.25 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 116.07 -19.4 13.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 85.39 41.51 7.36 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.79 139.24 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -74.58 106.73 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 98.5 m -97.55 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.345 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 97.0 m -65.41 82.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 164.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.9 -53.57 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.21 133.73 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -90.78 157.46 17.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 109.329 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.0 111.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 62.47 63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -174.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 417' ' ' THR . 90.8 m -69.87 63.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 167.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 416' ' ' THR . 36.2 m 40.72 67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.6 pt -72.41 163.53 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -165.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.74 87.72 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -23.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 11.6 t -164.73 162.34 21.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' A' ' 473' ' ' GLU . 31.7 tttt -118.12 143.66 46.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -131.04 119.5 22.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.585 166.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 7.1 p -92.45 125.25 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.963 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.66 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 49.9 t -114.68 127.42 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.41 39.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 173.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.1 p -133.15 27.53 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 39.2 p -128.49 63.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.473 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.09 -46.97 31.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -93.4 116.73 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.08 -34.45 76.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.03 -41.26 97.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.48 102.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 48.9 m -81.1 60.61 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -161.03 172.58 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.275 -174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 5.1 m -114.12 147.31 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 152.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.2 p -137.26 96.12 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.405 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.9 mp -100.94 129.54 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -109.81 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.555 158.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.34 129.96 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.53 163.74 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 174.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -145.76 140.48 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 166.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 161.52 -157.43 29.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.77 38.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 447' ' ' ARG . 5.2 mtm180 -119.0 10.89 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -170.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 68.44 -76.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.275 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 445' ' ' ARG . 6.6 mtp-105 -65.64 138.78 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.223 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -24.11 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.233 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.18 -9.9 58.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.32 0.01 24.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.41 148.14 31.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -160.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -81.02 110.92 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -166.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 31.1 p -79.59 147.71 31.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.54 21.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 175.498 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -179.8 147.63 7.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -165.6 148.89 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.365 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -164.56 161.32 21.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.963 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -136.19 170.13 16.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 16.6 tp -142.61 101.92 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 160.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.14 150.42 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 82.11 27.16 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -172.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 5.2 tt -74.7 144.41 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -152.44 80.34 5.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -166.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 158.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.36 160.8 69.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 160.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.25 120.5 11.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 100.89 -10.06 58.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.427 ' N ' ' HD3' ' A' ' 470' ' ' PRO . 64.3 mtt 48.36 63.06 10.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 0.803 . . . . 0.0 111.0 -175.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -74.96 -178.64 4.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 168.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -137.76 153.63 49.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 1.8 tp -97.5 140.19 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 165.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' A' ' 421' ' ' LYS . 19.7 tt0 -137.44 102.61 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.71 96.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.213 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.2 m -74.02 140.2 45.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -117.46 91.1 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 160.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -110.51 119.63 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.19 124.24 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -173.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.8 168.21 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -167.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.12 77.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.96 -17.55 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 94.64 18.84 33.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 483' ' ' ILE . 2.1 mp -95.27 139.43 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 17.2 tp -88.79 113.95 24.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 168.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -87.04 114.9 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.569 167.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.32 130.71 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 88.3 p -149.9 131.57 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.56 102.17 14.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -100.67 107.88 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.5 116.64 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -77.06 -25.43 52.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.351 -171.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -84.91 -48.66 9.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.37 1.044 . . . . 0.0 109.268 -173.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 32.7 t -74.27 -30.75 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.57 84.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -81.23 148.99 29.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -138.33 119.93 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 167.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -102.93 126.86 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -102.83 151.65 22.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 -164.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.47 124.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 162.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.5 p -98.98 128.35 45.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -135.49 137.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 174.406 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -59.15 161.23 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.26 156.64 48.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 3.3 t 74.05 115.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.1 t 60.26 -166.96 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 59.1 35.86 85.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.442 ' CD2' ' C ' ' A' ' 507' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.209 -1.029 0 O-C-N 124.557 0.799 . . . . 0.0 109.379 -168.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 38.6 m -68.94 121.65 17.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 6.8 tt -86.97 135.28 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -145.41 143.86 12.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.7 pt -95.27 151.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -172.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -79.56 116.85 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.315 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 26.6 p -114.17 169.48 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.414 166.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 36.7 ttm -50.51 138.28 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 114.39 -14.49 20.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 68.75 42.52 79.15 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.91 137.59 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -167.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 9.5 ttt -79.41 99.58 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 111.09 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 84.8 m -75.27 88.97 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 55.6 m -70.19 76.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . 0.414 ' C ' ' CD2' ' A' ' 411' ' ' LEU . 0.0 OUTLIER -82.08 -5.7 58.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -177.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.86 149.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.241 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.2 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -50.2 -37.86 37.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -111.42 61.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -175.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 418' ' ' ILE . 37.8 m -92.62 46.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 57.2 m 61.31 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 416' ' ' THR . 2.6 mt 67.18 132.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.312 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.0 158.41 99.02 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.991 -1.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 8.0 t -164.63 169.48 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.419 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -135.44 130.56 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -126.62 152.22 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.0 p -163.01 171.69 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.079 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 65.01 174.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 2.9 t 56.87 36.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -159.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -148.62 150.91 34.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.4 m -175.68 176.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -167.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.1 p -77.53 74.06 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.25 77.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.02 130.25 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -161.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 52.31 50.5 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.356 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 49.7 m -160.19 -51.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -106.03 167.1 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.7 p -131.84 118.29 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 7.5 t -101.02 135.54 42.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 172.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.3 mp -118.6 127.88 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 163.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.52 109.08 19.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.594 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.8 131.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 3.1 mt -120.68 167.52 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 166.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.77 139.46 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 153.73 -134.15 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.02 41.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.31 160.09 34.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.62 -56.28 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -85.6 146.35 26.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -80.77 -15.46 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -160.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.34 -9.45 58.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.32 12.28 18.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.354 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.07 148.55 42.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.264 -169.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.78 142.7 32.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -169.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 11.8 p -80.52 160.92 25.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -174.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.21 48.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 163.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 64.57 -167.21 29.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -155.6 163.75 39.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.246 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.75 143.42 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 168.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.13 137.92 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.6 148.29 30.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 172.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.61 163.83 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.273 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.61 -43.78 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.33 144.05 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -170.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -96.85 147.28 32.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 166.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.71 152.63 75.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.46 3.05 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -66.53 -37.2 84.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 -162.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -135.43 40.5 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 47.1 61.73 13.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.066 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.27 10.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 -163.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -162.88 153.32 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.11 137.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -171.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -126.33 139.35 53.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 157.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 114.98 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 161.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 2.3 m -86.93 147.34 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.83 89.1 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 173.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -133.8 124.29 26.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -157.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.6 tt -101.4 132.65 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.387 1.055 . . . . 0.0 109.353 -169.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.84 172.69 8.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.18 77.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.32 -17.02 63.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 19.39 30.93 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.36 134.24 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 109.285 169.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.3 tp -82.4 110.89 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.366 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -81.5 120.13 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.643 164.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 72.1 t -120.33 133.35 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -153.29 155.58 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 -171.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.76 141.89 51.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -131.84 111.07 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.52 125.27 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -173.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 169.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.97 -56.58 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.329 -170.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.8 t -99.94 -11.27 20.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.934 -171.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 79.24 10.56 85.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -77.29 157.08 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.361 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -148.27 131.43 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 162.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -129.97 139.83 51.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 146.45 49.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 130.76 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.3 p -111.02 126.63 55.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.398 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.73 132.27 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -177.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -79.69 138.83 37.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -86.06 63.18 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 14.8 t -171.39 142.13 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 26.9 t -162.35 -58.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 132.19 130.53 3.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.6 tp . . . . . 0 C--O 1.208 -1.094 0 O-C-N 124.453 0.737 . . . . 0.0 109.298 -179.075 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 40.4 m -60.32 141.72 55.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.51 117.39 34.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -126.12 -179.64 15.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 4.5 pt -131.91 163.87 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.355 173.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -77.91 126.98 31.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.84 164.41 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.391 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.6 ttm -52.23 124.89 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -163.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.73 -22.59 4.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.32 33.31 14.43 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -173.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.1 146.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -168.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.95 152.47 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.2 m -127.33 125.5 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 164.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 36.0 m -67.73 73.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -38.77 92.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.24 152.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.231 170.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -124.57 168.53 12.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 176.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -54.67 -42.51 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -175.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -121.22 60.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 418' ' ' ILE . 46.2 m -76.76 50.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 167.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.1 m 52.64 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 -160.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.493 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 45.8 mt 67.09 130.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -176.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.93 158.08 99.2 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.089 0.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 10.2 t -160.92 166.28 28.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.477 175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -144.46 127.14 16.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -163.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -151.44 160.68 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 424' ' ' GLN . 84.6 p -145.15 -89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 173.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . 0.415 ' O ' ' CG1' ' A' ' 425' ' ' VAL . 33.4 tt0 54.69 39.84 31.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 424' ' ' GLN . 2.1 p 62.92 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 158.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -154.19 135.75 14.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.8 m -67.41 129.57 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -165.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.39 68.42 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 166.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.17 70.98 10.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.84 105.34 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.32 -22.62 54.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -171.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.65 -29.16 69.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -162.96 134.79 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.5 p -71.11 73.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -144.17 130.62 19.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.5 136.25 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 15.2 t -132.73 116.27 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.22 102.23 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.182 . . . . 0.0 109.262 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -80.48 102.66 9.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 161.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -89.31 130.42 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -163.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.11 141.2 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -112.77 132.27 55.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 156.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.71 174.05 17.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.568 1.168 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.22 51.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.253 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 42.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -171.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 63.4 -89.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.96 134.07 44.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -168.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.36 80.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -163.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.99 -8.23 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -106.72 5.03 28.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.78 162.75 16.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -79.66 84.11 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 55.1 p -68.51 156.64 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.59 46.3 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.17 -160.83 14.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -164.12 160.08 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.252 -172.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.18 138.71 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 173.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -128.39 163.39 24.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -146.74 119.37 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . 0.426 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 2.4 p30 -97.51 151.13 20.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -161.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.2 44.93 4.89 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.52 87.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -59.49 126.37 82.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -173.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 68.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.927 170.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.4 78.21 1.69 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 72.62 4.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -69.53 95.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.75 16.55 44.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.426 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 64.1 mtt 53.72 62.68 8.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 154.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 75.44 152.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 7.0 tp -78.98 135.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 162.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -119.41 102.15 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.382 169.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.86 119.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 167.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' THR . . . . . 0.489 ' OG1' ' NZ ' ' A' ' 489' ' ' LYS . 79.0 m -97.67 145.25 26.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.453 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.43 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -125.65 124.38 41.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.7 tt -113.47 128.23 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -170.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.55 -179.6 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.7 70.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -171.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.84 -18.01 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.48 45.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.31 129.12 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 119.62 23.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 170.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -92.83 104.23 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.591 172.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.41 114.88 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.5 p -146.71 144.69 29.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -163.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -132.23 127.67 36.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.489 ' NZ ' ' OG1' ' A' ' 475' ' ' THR . 14.4 pttm -143.58 110.57 5.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -167.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.06 118.66 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -76.07 -15.76 60.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -81.38 -51.91 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.6 t -92.56 -24.68 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -167.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.77 69.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.426 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 85.3 mttt -71.26 152.18 43.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.65 134.35 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 166.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -142.61 157.24 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 164.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.82 147.06 34.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -169.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.77 127.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 175.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 18.0 p -106.99 129.15 54.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.426 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.93 137.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.62 1.2 . . . . 0.0 109.28 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -64.93 137.15 57.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -103.22 51.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 45.3 t -165.23 -50.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 93.1 p -132.05 62.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -64.81 -58.43 9.98 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 C--O 1.208 -1.094 0 O-C-N 124.537 0.786 . . . . 0.0 109.317 177.132 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 50.8 m -78.04 134.96 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -164.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.14 128.22 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -142.76 177.34 21.87 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.443 1.09 . . . . 0.0 111.036 175.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.65 171.23 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 109.331 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.77 135.7 36.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 165.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.8 p -131.7 175.74 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 171.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 26.8 tpp -48.86 136.9 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -168.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 107.57 -2.67 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 67.86 35.54 85.03 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.1 129.31 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.239 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 4.2 ptm -85.67 151.73 23.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -163.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -104.97 113.11 26.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 67.5 m -66.88 71.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 162.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -29.2 65.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -175.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.21 138.09 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -107.86 164.56 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -54.78 114.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 4.0 t30 62.78 61.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 417' ' ' THR . 94.3 m -72.55 63.43 0.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 168.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 416' ' ' THR . 1.9 t 33.76 59.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 174.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.7 pt -67.78 160.67 72.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.88 89.69 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.982 -17.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 10.2 t -162.17 170.33 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -141.19 136.75 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -169.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -129.14 159.17 36.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.611 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.3 p -163.31 161.12 24.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . 0.421 ' O ' ' HB ' ' A' ' 425' ' ' VAL . 1.2 tt0 62.08 -167.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 173.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 424' ' ' GLN . 21.8 t 72.22 -58.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.413 ' CE2' ' CZ ' ' A' ' 476' ' ' PHE . 16.2 p90 -128.64 143.38 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 156.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 2.3 m -171.46 -63.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 44.2 p -134.1 39.84 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.88 77.3 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -151.49 126.84 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -163.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.54 -19.08 62.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -162.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -52.15 -46.97 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.226 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 46.21 56.85 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 m -163.59 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -134.43 146.58 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 170.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.91 132.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 20.0 p -123.91 98.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.84 126.37 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.64 114.61 23.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.642 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.14 131.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -171.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.13 142.28 51.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -113.51 124.28 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.283 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 173.22 -126.1 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -166.95 75.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 70.89 -169.72 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 158.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 68.41 -160.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.614 1.196 . . . . 0.0 109.293 -175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -68.01 144.16 55.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 -172.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.04 65.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.35 -11.59 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -96.12 -10.38 28.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -115.26 151.14 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -167.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -87.35 110.3 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.301 -158.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 13.6 p -71.86 144.32 49.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.82 14.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 171.347 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -161.39 136.85 4.61 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -158.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -157.03 139.46 14.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.803 . . . . 0.0 110.317 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.53 145.84 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -139.25 160.28 40.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 -169.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 13.2 tp -156.89 142.4 17.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.85 150.91 23.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -166.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.56 34.21 1.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 35.0 mm -85.65 78.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.256 164.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -68.18 125.35 91.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -166.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -34.67 3.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 171.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -82.08 156.14 69.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -172.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -22.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.919 167.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.42 114.37 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.55 -19.2 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -171.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 64.2 mtt 49.11 60.87 15.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.77 28.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -153.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -158.37 129.26 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.31 137.26 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 -168.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -144.45 142.02 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.253 167.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.01 108.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 97.6 m -88.37 145.17 25.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 -172.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . 0.413 ' CZ ' ' CE2' ' A' ' 426' ' ' PHE . 92.2 m-85 -128.75 89.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 174.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.95 122.84 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.6 tt -102.98 129.99 53.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -95.91 179.58 5.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.57 70.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -172.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.14 -18.05 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.04 20.73 52.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.7 mt -96.25 138.99 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 168.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.87 119.15 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 172.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -92.16 110.52 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.523 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 73.6 t -107.11 116.41 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 4.6 m -137.47 139.7 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -162.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.45 145.0 49.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -141.1 104.4 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.12 124.68 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -68.34 -33.19 73.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 169.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -70.0 -46.57 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.319 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 4.8 t -90.83 -20.33 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.23 3.14 82.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.909 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -81.75 151.11 27.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 109.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -143.97 145.76 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 158.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.38 164.11 27.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -140.29 147.32 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.5 135.78 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 170.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 34.6 p -116.64 120.8 39.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 110.377 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.438 HD11 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.81 125.44 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -175.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.81 145.77 44.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -117.84 102.36 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 47.1 t -71.11 87.26 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 58.4 m -76.77 71.42 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -160.68 -90.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 172.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 67.6 tp . . . . . 0 C--O 1.209 -1.064 0 O-C-N 124.45 0.735 . . . . 0.0 109.325 176.837 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 43.7 t -43.76 115.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.053 175.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -94.91 119.94 34.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -138.26 -172.28 12.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.939 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.68 172.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.331 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 121.23 24.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 161.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 2.7 p -112.06 173.8 6.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 59.4 mtm -49.59 143.0 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -163.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 92.6 1.52 68.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.412 1.07 . . . . 0.0 111.038 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.69 60.39 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.41 137.66 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.23 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.46 148.27 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -141.29 120.57 13.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 22.8 m -79.9 117.55 20.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 156.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . 0.415 ' O ' ' CG2' ' A' ' 412' ' ' ILE . 0.0 OUTLIER -115.23 1.43 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -172.361 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . 0.415 ' CG2' ' O ' ' A' ' 411' ' ' LEU . 3.0 pt -157.52 151.65 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 147.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -91.39 170.12 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -168.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 415' ' ' ASN . 20.1 mmtt -38.81 130.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 414' ' ' LYS . 51.5 t30 80.66 -61.99 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 174.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 417' ' ' THR . 85.9 m 37.26 60.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.453 -161.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 416' ' ' THR . 57.0 m 40.38 76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.44 157.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.8 pt -67.47 173.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -163.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.97 -39.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 7.7 t -166.34 159.0 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.64 135.3 46.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -175.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -137.16 163.52 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.637 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.0 t -145.97 -71.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -85.34 63.1 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 11.0 m -90.19 -24.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -153.38 39.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 157.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 7.2 p 58.48 -165.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 20.6 m -78.69 71.32 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 169.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.31 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -156.79 98.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -166.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -67.39 -28.19 67.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.51 -40.35 96.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -174.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 46.45 70.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 -168.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.15 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -169.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -158.67 129.31 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -174.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 30.8 m -78.41 91.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 28.0 p -87.21 89.89 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.83 102.07 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.386 176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.43 110.35 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 160.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.48 124.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.76 150.42 36.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -166.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -133.09 165.63 24.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 149.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.62 -175.97 42.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -147.94 131.34 16.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 0.764 . . . . 0.0 110.246 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.0 21.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 166.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.6 tttm 68.76 -70.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -169.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -74.73 134.81 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.9 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.07 -8.91 59.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -162.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -107.11 0.1 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -92.29 161.16 14.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.25 82.59 6.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 19.8 m -64.24 158.95 21.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 34.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 127.11 -167.09 19.65 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -161.17 161.95 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.294 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.14 148.0 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 170.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -137.49 151.18 48.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -172.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.64 127.62 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 16.8 p-10 -100.84 161.28 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -169.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.3 30.4 14.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.1 mt -112.59 136.98 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -128.85 88.53 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.62 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.426 1.75 . . . . 0.0 110.98 165.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -147.57 160.22 39.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.029 165.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -64.34 99.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 131.02 -29.56 3.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 39.9 ttm 46.82 62.45 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 111.024 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 178.43 7.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.595 1.839 . . . . 0.0 110.963 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -141.32 118.89 11.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 172.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.4 tp -147.52 115.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -162.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.15 129.1 37.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 163.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 42.7 t -104.45 98.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 133.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.31 144.08 54.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.377 -171.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -138.5 89.1 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.96 123.22 40.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -166.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.12 123.39 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -87.71 167.39 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -173.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.65 71.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.14 -17.16 61.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 22.55 22.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 16.8 mt -91.33 139.73 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.4 104.59 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.51 113.78 21.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.45 133.55 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 91.7 p -158.17 170.54 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.94 139.03 44.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -141.23 102.08 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -170.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.04 117.16 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.95 -32.44 69.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.95 -49.0 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 30.9 t -83.43 -27.89 29.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.035 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 86.05 9.86 76.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 29.0 tttt -69.45 146.44 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -159.04 109.99 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -169.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -139.05 139.3 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 155.6 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -159.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.13 128.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 2.4 p -109.63 127.53 54.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.372 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -132.17 116.55 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.41 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -59.31 145.4 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -68.35 77.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 2.8 t -74.38 -173.88 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -162.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.9 t -150.84 153.56 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.069 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 168.21 -175.82 42.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.208 -1.108 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 57.5 m -62.96 88.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.5 tp -84.21 137.19 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 163.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -140.65 174.97 22.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.89 158.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 178.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.71 102.53 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 172.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 404' ' ' MET . 65.4 p -108.55 -174.4 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 164.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 403' ' ' THR . 4.1 mmt 3.33 87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -161.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 87.58 -71.29 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 152.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . -163.96 43.07 0.32 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.0 p -133.87 135.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.76 138.18 41.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 53.4 m -110.84 122.75 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.393 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.8 m -59.71 99.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 169.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.38 -28.37 61.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.89 151.46 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -101.83 155.9 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.21 -29.64 69.94 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -111.76 60.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.2 m -98.4 25.68 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 167.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 27.5 m 60.93 69.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.411 ' CG2' ' HA ' ' A' ' 419' ' ' PRO . 19.5 mm -66.43 147.55 98.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.411 ' HA ' ' CG2' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 165.24 86.4 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.049 -15.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 1.4 t -155.07 157.51 37.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -162.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -144.28 131.13 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -143.13 136.1 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.588 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.45 160.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 60.04 30.99 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.08 20.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -146.67 99.87 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -77.3 146.15 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -175.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 14.9 p -79.51 71.79 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.42 99.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.4 133.8 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.34 -17.8 62.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.58 -40.43 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 49.13 49.22 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.1 t -168.21 -47.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.039 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -121.58 -179.31 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.74 132.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 164.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 41.4 p -133.63 99.13 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -169.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.21 125.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -96.85 120.42 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 149.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 t -81.33 120.04 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 172.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.08 135.0 35.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -111.23 163.26 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 171.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 119.68 156.96 10.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.073 . . . . 0.0 111.027 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -84.69 67.82 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.272 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -133.86 130.05 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -74.82 -32.71 62.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -78.54 126.04 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.74 83.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -169.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -91.78 37.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -168.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 1.6 11.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 165.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -118.03 164.69 14.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -155.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -77.83 95.42 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 -172.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 85.4 p -62.0 146.12 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 170.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.43 37.15 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 141.69 170.29 12.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -164.22 157.17 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.64 160.34 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -136.16 156.58 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -144.97 116.74 8.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 166.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -94.44 118.3 31.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.11 48.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.81 66.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.432 0.725 . . . . 0.0 109.259 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.1 136.18 41.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -170.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 77.9 3.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.012 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -135.57 162.14 58.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -163.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 77.7 -60.91 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 165.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 160.97 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 168.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.54 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -59.45 -52.72 72.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 111.052 -175.462 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -75.06 63.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 0.0 110.927 -169.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -93.32 52.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 110.236 -162.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.3 tp -83.93 145.5 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -168.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.31 134.33 50.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 154.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.38 128.76 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 85.3 m -97.81 145.11 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -140.73 89.65 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.948 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -137.16 124.82 22.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -155.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.92 123.6 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.09 173.6 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.33 -28.41 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.334 -168.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.33 -17.96 63.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.48 22.36 37.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.52 139.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.35 114.18 13.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 165.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -86.43 121.28 28.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 159.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.0 t -125.46 131.21 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 99.2 p -154.18 140.99 19.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -116.23 137.54 52.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -143.27 140.79 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.94 126.44 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.252 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.66 -16.02 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -64.38 -57.63 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 34.9 t -92.36 -29.6 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 4.29 78.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.57 160.19 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.81 147.68 27.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 110.307 -158.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -133.36 137.24 45.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 147.75 49.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -156.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.33 132.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.086 . . . . 0.0 109.384 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.4 p -116.25 126.06 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.53 122.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -174.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -57.3 132.37 52.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -142.14 47.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.8 t -152.84 134.16 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 22.4 m 51.99 79.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.974 -174.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -178.36 167.43 38.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.209 -1.033 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -175.734 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 169.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.081 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . 0.47 ' CD2' ' HB ' ' A' ' 440' ' ' VAL . 0.3 OUTLIER -148.82 78.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 170.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.36 153.12 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.43 1.082 . . . . 0.0 111.029 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 14.9 pt -101.93 150.61 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.325 -167.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.33 99.05 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.69 -179.61 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.397 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 73.8 mtp -47.16 128.0 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 -165.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 91.9 25.69 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 168.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 64.72 34.82 90.91 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.7 p -114.93 139.62 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 26.0 ttt -76.4 128.71 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 85.1 m -111.61 115.6 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 162.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 20.2 m -71.95 68.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.437 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 52.0 tp -73.4 -27.1 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.76 136.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 174.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -108.84 166.21 10.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.45 116.94 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 54.66 60.13 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -170.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 63.0 m -51.64 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.429 ' C ' ' CG2' ' A' ' 418' ' ' ILE . 1.1 m -161.19 -32.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 110.351 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.429 ' CG2' ' C ' ' A' ' 417' ' ' THR . 14.9 tt 49.49 80.53 0.29 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 144.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 147.33 89.03 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.984 16.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 14.2 t -163.36 -175.44 4.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 152.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.85 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 177.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -130.74 160.08 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 165.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 65.5 p -141.04 142.41 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.058 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 61.38 -162.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 4.1 t 54.24 47.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -158.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -150.03 145.6 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 111.076 165.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.3 p -164.03 167.34 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 48.8 p -91.99 144.95 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.47 -61.01 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -89.51 139.05 30.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.342 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -68.36 -29.46 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.58 -41.2 94.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -86.11 77.27 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.3 m -84.03 44.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.023 -169.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -150.66 133.38 15.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -160.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 436' ' ' VAL . 16.9 m -80.61 90.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 175.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 437' ' ' THR . 11.3 t -84.6 105.14 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 162.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.64 100.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 168.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -67.0 139.66 57.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 143.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 399' ' ' LEU . 0.0 OUTLIER -111.6 142.07 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 162.321 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.2 117.43 21.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -162.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.39 132.14 34.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 172.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 140.53 -155.78 24.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -155.73 90.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 0.782 . . . . 0.0 110.38 170.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -137.86 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.226 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -77.32 -50.94 11.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -86.65 137.06 32.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.12 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -167.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.56 -6.38 33.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -111.37 145.29 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -167.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -86.77 96.06 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -154.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 83.5 p -63.58 156.87 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.51 30.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 169.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.12 174.64 13.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -157.18 168.78 26.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.02 147.53 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 168.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.97 133.55 46.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -139.89 122.64 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -100.38 120.0 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -166.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 153.34 52.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 tp -71.99 156.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -113.99 95.22 37.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 80.26 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.602 1.843 . . . . 0.0 111.006 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -155.22 160.45 30.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -49.18 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.764 . . . . 0.0 110.951 161.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.7 100.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 105.47 22.46 8.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 8.6 mtt -52.93 -44.67 97.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 160.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 83.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 154.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -160.78 -39.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 168.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 8.1 tp -78.23 144.88 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 148.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.41 105.57 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 171.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.78 118.14 52.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 26.6 m -101.93 145.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -131.61 89.12 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 170.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.08 121.56 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -166.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.17 125.75 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.97 168.43 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -167.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.81 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -17.62 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.81 9.71 57.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.73 137.49 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.5 tp -91.91 106.6 18.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 159.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -75.21 123.1 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 161.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.25 138.62 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 43.7 p -153.24 154.97 35.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.63 139.13 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -123.85 113.67 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.01 107.04 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.59 -16.07 61.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.98 -55.71 17.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 21.7 t -102.92 -11.69 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -166.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 82.59 10.39 83.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -80.47 160.91 25.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 6.1 pt-20 -147.29 159.56 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 155.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.17 154.42 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.448 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -140.16 148.6 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -171.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.65 121.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -178.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 20.5 p -105.12 125.36 50.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -130.59 142.84 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 178.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -100.43 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -153.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 50.89 45.66 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 58.1 m -149.26 156.65 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 11.7 t 54.67 53.21 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -167.2 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.209 -1.058 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 176.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 41.5 m -53.52 132.94 40.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 109.96 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 9.2 tt -135.39 135.89 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -129.32 -179.53 16.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 162.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.26 156.03 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 0.0 109.334 171.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -79.06 102.64 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -173.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -101.23 179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 44.1 ttm -49.57 131.51 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.932 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 106.05 -14.76 44.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.73 7.33 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.8 p -133.5 133.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.245 -167.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 5.0 ptm -82.37 84.66 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -172.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 81.3 m -68.04 99.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 85.0 m -62.0 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 165.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.21 -38.86 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.03 151.34 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 172.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -88.1 162.17 16.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.4 -35.83 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -93.37 50.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -26.77 66.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 157.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 5.5 m 64.16 31.5 13.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.434 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 62.27 170.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 157.16 43.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.035 -2.486 . . . . 0.0 111.019 -73.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 2.3 t -169.23 131.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -101.42 119.74 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -114.92 164.71 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.643 166.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.26 157.52 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 426' ' ' PHE . 8.9 tp-100 59.37 -114.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.632 1.208 . . . . 0.0 110.269 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 94.5 t 44.06 -73.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -141.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 424' ' ' GLN . 35.9 p90 -109.61 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 57.8 p -145.36 -67.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.99 133.92 54.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -160.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -83.91 -22.41 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.593 1.183 . . . . 0.0 109.346 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.24 107.65 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -77.14 -24.04 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -170.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -78.85 -4.49 49.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -9.51 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p 68.22 16.6 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -152.33 171.01 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.72 139.72 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.1 p -127.34 95.83 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -166.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.81 106.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -100.97 98.69 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.558 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.08 121.32 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 157.03 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 177.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.95 161.0 37.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.93 154.27 10.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.52 97.68 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.37 169.25 18.66 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.603 1.19 . . . . 0.0 110.333 174.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -92.14 -57.02 2.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.087 . . . . 0.0 109.278 168.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -90.65 142.27 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.233 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.24 79.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -167.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.54 -7.66 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -164.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.68 14.83 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -111.59 160.25 17.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -72.78 130.15 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.378 -168.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 71.2 p -79.62 158.25 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -164.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.13 57.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 66.8 177.71 8.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 169.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.62 161.43 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.278 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.41 141.03 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -123.39 158.86 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -171.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -147.46 121.87 9.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -113.11 90.15 3.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -167.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -162.29 36.09 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.31 141.92 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -70.5 145.27 92.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 69.46 5.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.23 148.05 9.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 168.94 23.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 -147.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -44.43 114.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 134.99 -45.86 1.08 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.467 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 1.4 tpt -67.73 -59.46 6.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 111.032 -172.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.4 Cg_endo -75.0 144.62 30.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -157.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -86.93 82.63 7.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -173.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.68 130.7 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 -157.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.03 124.93 44.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 163.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -107.67 119.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.097 . . . . 0.0 109.342 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -83.31 143.15 30.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.364 -172.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 426' ' ' PHE . 48.7 m-85 -140.47 90.87 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 167.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -132.85 122.23 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -152.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.5 mm -86.05 118.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -78.23 168.15 20.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.26 -17.47 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.24 11.43 56.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.5 140.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 109.345 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 1.1 pp -88.28 105.63 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -87.04 131.18 34.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.2 t -119.21 144.48 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.2 t -156.41 168.27 27.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.069 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.58 21.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 125.96 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.3 124.46 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -73.81 -19.41 60.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -78.24 -52.02 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.3 t -88.84 -26.75 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -171.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 11.27 67.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -77.24 151.85 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -146.69 133.35 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.227 149.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -136.61 161.11 36.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 164.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -149.06 150.61 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 -155.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.65 138.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -175.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.9 p -116.84 125.98 52.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.08 134.2 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -178.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -88.9 155.53 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -95.86 61.23 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 42.0 p -169.18 168.03 10.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 8.3 t 67.02 99.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.057 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -55.94 -38.92 76.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 111.017 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.209 -1.067 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 -179.439 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 35.4 m -56.18 135.01 53.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -111.53 123.5 50.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -146.5 176.68 25.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.927 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.79 163.44 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.346 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -79.09 89.17 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 22.9 p -79.39 164.65 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 51.5 ttm -51.03 119.2 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.33 -25.28 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -169.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.95 9.02 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.08 134.51 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.48 99.02 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 99.2 m -85.8 101.16 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 93.7 m -65.31 96.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 161.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -16.62 46.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.5 tt -150.76 134.19 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -166.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -96.35 164.07 12.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.96 -34.81 70.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -120.4 61.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 417' ' ' THR . 65.0 m -73.78 62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 170.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 416' ' ' THR . 70.0 p 37.84 68.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.77 165.76 49.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -165.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 96.5 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 -26.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 12.9 t -164.0 175.55 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.432 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -127.12 128.75 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -103.69 91.72 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 162.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 11.3 p -71.69 130.34 40.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 168.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -160.0 133.14 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 110.272 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 5.8 m -89.13 148.62 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.205 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.59 136.1 38.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 71.9 m -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 22.1 p -79.46 99.91 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.375 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.63 64.34 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -167.57 69.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 110.263 -172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.03 -29.14 68.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -168.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.54 -33.76 76.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -102.59 126.42 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 99.4 p -78.43 64.0 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.948 167.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.88 174.53 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -166.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.35 121.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.9 m -104.51 114.5 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.35 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 168.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.45 98.91 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.53 141.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.68 141.79 51.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 159.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.73 135.9 52.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.03 -148.2 12.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -147.11 39.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.323 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -120.34 147.41 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -77.24 -41.98 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -80.75 142.92 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -17.9 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 0.0 109.337 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.39 60.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -109.98 -2.96 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.26 144.68 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -167.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -92.91 122.45 35.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -154.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 20.7 p -82.95 142.07 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.997 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.19 -14.18 19.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 121.22 -156.28 16.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -168.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.14 160.82 42.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -168.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.02 136.29 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.26 160.22 23.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -165.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.72 121.51 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -105.61 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -165.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.58 19.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.5 tt -71.82 167.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -50.62 152.61 3.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -17.37 19.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -154.47 78.1 5.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -68.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 57.44 28.73 15.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.326 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.22 -22.07 42.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 169.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.515 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 2.0 tpp -58.67 -55.52 45.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -164.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.7 Cg_endo -74.94 175.79 10.75 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.454 1.765 . . . . 0.0 111.055 -166.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -73.25 79.89 1.31 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.406 1.066 . . . . 0.0 110.277 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 31.3 mm -106.88 91.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.54 72.56 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 176.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 73.8 t -82.44 91.52 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 158.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 12.4 m -90.18 143.81 26.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 -159.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -108.06 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 164.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.2 120.67 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -165.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.8 tt -100.69 128.25 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.49 175.25 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.196 . . . . 0.0 109.292 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.11 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.26 -17.6 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.32 53.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.22 137.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 0.0 109.305 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.61 103.11 11.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 171.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.12 98.83 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 168.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.67 111.16 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.0 p -98.96 166.15 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.933 -172.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -138.91 98.74 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 152.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -106.08 103.35 12.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.6 124.15 39.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -172.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -64.84 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -67.32 -47.47 70.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 5.9 t -90.31 -30.75 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.014 -172.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.15 5.95 79.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -80.79 158.96 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.81 106.8 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 150.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -115.57 142.77 46.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 110.321 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 155.45 45.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -162.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.78 131.78 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.99 121.87 39.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 4.8 mt -134.93 114.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -167.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -77.57 137.43 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -171.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -88.11 59.73 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 35.0 p -163.64 57.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 32.5 t -168.67 55.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.026 -174.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -134.6 165.82 24.39 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.165 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 39.3 m -63.86 109.37 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 48.8 tp -88.01 132.78 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.41 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 167.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 5.2 pt -133.13 162.67 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.306 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -78.42 110.5 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 164.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 21.3 p -99.82 151.56 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.25 124.68 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 -157.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 133.39 -20.34 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.094 -167.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.36 29.32 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.48 137.71 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -169.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.8 tpp -68.13 123.48 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.0 m -111.2 110.61 21.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 164.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 87.1 m -66.87 87.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 170.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -49.06 -52.96 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 11.0 pt -147.44 160.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -87.44 166.98 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -167.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -34.25 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -120.82 61.17 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 417' ' ' THR . 32.3 m -74.97 63.07 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.187 . . . . 0.0 110.363 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 416' ' ' THR . 14.7 p 34.66 75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.422 168.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.2 pt -74.49 168.58 25.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -164.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.08 32.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.945 -31.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 10.9 t -164.26 178.09 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.8 127.89 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.324 -172.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.39 165.32 20.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.681 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 5.4 m -143.65 -62.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 69.12 158.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.311 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.55 128.02 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 158.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -151.68 121.77 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 111.062 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.7 m -72.96 141.27 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -163.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 22.8 p -82.55 94.8 7.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.46 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.22 68.09 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -158.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.8 84.61 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.7 t70 53.42 -94.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -121.25 -1.68 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -165.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -105.04 157.54 17.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.239 -158.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 69.7 m -76.3 66.45 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -157.07 167.41 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -170.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.8 p -126.47 132.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 5.9 t -114.36 122.8 47.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.384 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -108.04 106.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 170.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -97.74 102.58 14.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 165.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.85 120.07 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.19 155.15 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.24 144.96 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 168.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 134.57 -83.29 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -167.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.3 -28.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -60.36 -153.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 153.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -55.73 148.82 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -168.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.06 61.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.45 -10.71 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 -166.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -113.32 11.76 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -111.65 134.55 53.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -171.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -79.68 115.86 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -155.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 94.3 p -70.98 157.06 38.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.073 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -156.39 35.9 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.43 164.43 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.7 161.1 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.57 138.91 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -133.53 157.66 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 18.3 tp -126.79 115.84 19.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . 0.407 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 12.8 p-10 -99.2 145.87 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -174.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.56 44.47 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.3 mt -106.24 101.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 109.252 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -98.55 161.97 23.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.17 33.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 160.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -153.6 155.22 31.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -115.08 37.23 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 24.3 mtt -50.28 -43.07 77.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 111.066 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 87.98 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 110.933 148.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -79.83 -45.68 18.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.24 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 11.4 tp -131.89 155.92 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -155.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -140.2 125.66 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.278 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 13.8 t -116.41 115.49 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' THR . . . . . 0.448 ' OG1' ' NZ ' ' A' ' 489' ' ' LYS . 0.2 OUTLIER -92.26 144.17 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -172.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -130.71 89.29 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 161.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -127.69 124.13 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -161.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.1 mm -81.62 126.52 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.16 169.35 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.38 -31.56 72.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -171.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.54 -17.59 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.55 22.22 27.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.12 134.62 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 101.68 11.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -73.93 122.84 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.623 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 78.1 t -120.23 134.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 94.7 p -153.47 152.76 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.76 50.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 168.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.448 ' NZ ' ' OG1' ' A' ' 475' ' ' THR . 0.0 OUTLIER -145.0 125.89 14.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -178.291 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.25 125.83 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -75.02 -28.09 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -81.95 -46.11 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.268 -172.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.4 t -91.43 -34.45 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -172.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.31 7.07 77.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 75.4 tttt -80.87 140.6 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.22 157.24 38.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.277 -169.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.65 144.31 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 172.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -110.14 160.03 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -175.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -149.59 125.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 168.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.68 127.15 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -177.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.02 125.29 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 -175.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -64.76 138.13 58.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -83.95 96.02 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.1 t -76.9 -168.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 -165.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 78.1 p -142.49 35.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -163.65 179.53 38.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 62.5 tp . . . . . 0 C--O 1.208 -1.084 0 O-C-N 124.53 0.782 . . . . 0.0 109.351 -177.008 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 42.3 m -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 4.8 tp -79.69 107.78 12.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 156.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.78 145.65 17.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 165.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.98 156.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -174.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.35 104.9 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.2 OUTLIER -121.22 -173.7 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 -173.516 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 403' ' ' THR . 5.6 ttm -35.63 122.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 95.17 2.54 62.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 70.71 31.51 67.6 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.43 141.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.267 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.98 68.32 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -174.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.4 m -53.06 109.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 82.8 m -67.1 84.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 10.5 tt -67.82 -55.03 14.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 168.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.91 132.43 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.48 163.02 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -170.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -59.3 109.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.21 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.9 t30 59.06 60.37 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.391 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 37.8 m -49.53 -72.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 418' ' ' ILE . 83.6 m -155.87 -40.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 419' ' ' PRO . 18.8 pt 42.75 79.08 0.35 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 166.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 159.0 98.65 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.085 15.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 157.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -144.57 135.31 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -150.92 138.78 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.613 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 94.0 p -141.01 164.19 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . 0.517 ' O ' ' C ' ' A' ' 425' ' ' VAL . 0.0 OUTLIER 76.73 -51.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 178.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 424' ' ' GLN . 4.8 m 35.06 -115.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 150.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -94.05 165.92 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 4.6 m -159.5 -68.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 169.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 36.3 p -142.46 156.02 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.432 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.05 -63.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.7 165.37 17.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.82 -22.23 64.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.203 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.38 -27.96 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.53 83.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 53.2 m -88.13 -3.85 58.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 152.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -140.44 -178.16 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.99 136.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 154.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 71.6 p -133.67 78.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.358 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.92 114.74 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -99.98 108.11 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 169.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 52.7 t -71.74 122.95 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 159.74 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -132.65 149.38 52.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.87 -163.38 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -160.09 82.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.294 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 447' ' ' ARG . 0.8 OUTLIER -156.74 40.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 68.75 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 167.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 445' ' ' ARG . 1.8 mtt85 -73.9 150.91 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -171.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.55 -25.16 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.3 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.83 26.84 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.8 150.33 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 -175.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -81.75 118.29 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -159.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 17.4 p -67.4 148.03 52.12 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.87 46.11 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 109.361 164.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 104.67 -179.95 24.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -156.43 169.49 24.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -173.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 155.24 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 166.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -137.27 154.42 50.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 4.3 tt -154.62 127.11 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 109.335 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -114.78 158.78 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -154.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.0 41.29 4.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.4 tt -101.85 158.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.9 129.7 3.68 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 173.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.27 31.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 168.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.69 150.04 9.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 157.97 42.38 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -150.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 75.77 -62.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 164.22 44.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 0.0 111.061 170.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.513 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 10.2 ttt -59.93 -57.45 26.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.727 . . . . 0.0 110.963 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.964 -154.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -128.33 124.11 35.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 168.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.2 tp -149.75 120.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.45 92.42 4.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -172.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 19.8 t -91.99 147.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 164.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -128.13 143.59 51.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -137.97 89.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.951 161.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -122.97 123.62 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.4 126.76 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -171.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -81.02 166.72 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.5 70.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.32 -17.71 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.13 22.64 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -95.86 136.43 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.98 110.25 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 161.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.32 115.51 22.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.588 164.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 71.3 t -114.3 143.56 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.1 p -158.62 157.78 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.025 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.55 149.61 49.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -154.16 127.65 8.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.13 124.65 34.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -65.64 -32.39 73.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.24 -54.05 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 12.1 t -83.04 -18.66 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.028 -167.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 83.68 11.01 80.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 171.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.52 154.09 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.19 129.76 12.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 167.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -146.93 139.45 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -142.02 149.25 39.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -162.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.26 119.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -169.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.3 p -101.9 129.75 48.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -131.3 114.79 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 178.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -64.07 156.17 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -53.0 128.97 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 163.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 46.9 t -139.6 163.66 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 -159.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 89.6 p -119.25 17.05 13.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 100.51 29.32 6.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -168.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.566 0.803 . . . . 0.0 109.318 173.251 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 5.9 t 62.38 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.9 82.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 162.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -91.72 179.59 41.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 476' ' ' PHE . 1.5 pt -115.67 144.37 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -177.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -78.84 78.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 37.0 p -93.61 174.31 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -50.1 128.87 19.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 111.01 -166.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 115.83 -22.36 11.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -167.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 73.89 43.91 32.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.51 137.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 -169.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.1 73.98 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 83.7 m -60.6 115.25 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.1 m -68.36 89.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -55.13 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 175.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.5 pt -144.36 167.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -94.44 167.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 -155.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -67.14 124.4 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 35.0 m120 48.22 61.68 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -165.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 5.9 m -39.7 -60.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 110.364 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.482 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 170.23 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.422 -171.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 417' ' ' THR . 0.8 OUTLIER 60.74 165.97 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.41 7.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.958 -50.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 6.8 t -148.78 143.55 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -156.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -110.65 129.07 55.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.41 159.33 27.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 160.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 15.6 m -161.04 -63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -78.28 85.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -169.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.67 -59.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 401' ' ' ILE . 32.4 p90 -127.37 168.18 15.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -149.41 -167.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 68.4 p -90.93 167.61 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.47 -59.11 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -172.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -88.99 103.74 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -71.79 -29.79 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -169.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.9 -42.76 90.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -166.97 117.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 p -153.0 176.48 11.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -176.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -136.07 137.64 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 34.2 m -83.54 81.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -78.61 81.72 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.56 131.1 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.93 151.64 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.567 135.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.77 126.98 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 166.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.25 139.87 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -166.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.78 155.82 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 177.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 148.38 -152.04 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -142.57 39.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -127.69 158.99 36.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.26 -54.53 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.379 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -87.38 151.37 23.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.25 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.99 -24.81 55.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -165.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.45 -8.47 57.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -170.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -104.49 4.79 33.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.61 152.63 35.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -162.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -88.15 103.83 16.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -165.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 33.6 p -68.21 148.39 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.49 32.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 171.78 95.8 0.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.0 137.93 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 110.292 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.91 122.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.7 159.01 21.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.55 118.78 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -97.75 156.45 16.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.12 41.8 3.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.08 136.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.575 0.809 . . . . 0.0 109.288 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -148.09 89.74 5.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.44 38.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.98 21.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -174.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 163.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -67.22 106.88 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 87.34 37.84 8.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.446 ' N ' ' HD2' ' A' ' 470' ' ' PRO . 2.7 mtt -53.73 -48.09 94.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 169.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 469' ' ' MET . 18.2 Cg_endo -75.08 63.06 6.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 168.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 178.17 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.62 1.2 . . . . 0.0 110.29 -173.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.46 ' O ' ' CG2' ' A' ' 472' ' ' ILE . 0.1 OUTLIER -122.57 107.49 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 167.19 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.45 159.99 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 22.2 t -105.73 125.75 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 167.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.16 141.78 34.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . 0.423 ' CZ ' HD12 ' A' ' 401' ' ' ILE . 57.5 m-85 -133.43 93.37 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.41 121.32 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -163.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.2 mm -87.24 118.85 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -79.35 166.61 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.17 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.17 -0.01 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.06 22.29 23.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 166.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -89.47 122.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.29 99.36 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -85.15 103.59 14.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 109.632 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 93.9 t -102.66 125.25 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.9 p -151.83 158.79 43.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -136.42 129.72 31.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -118.3 108.85 15.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -96.43 125.98 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -77.1 -16.84 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 167.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.26 -57.46 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -172.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.1 t -104.78 -3.71 23.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.52 -5.3 84.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 170.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -74.72 160.46 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 -167.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.68 110.93 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -138.54 155.86 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.11 162.4 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -162.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.34 133.94 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 174.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.3 p -121.01 122.74 40.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 110.388 -173.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.22 127.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -177.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -56.74 130.24 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.36 28.37 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 29.3 t -64.89 -52.23 57.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.948 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.0 t 63.52 92.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 152.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -51.91 -74.85 0.25 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.412 1.07 . . . . 0.0 110.955 165.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 C--O 1.208 -1.1 0 O-C-N 124.526 0.78 . . . . 0.0 109.267 167.346 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.5 m -73.65 109.56 7.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -78.76 108.41 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 167.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -120.18 169.47 13.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 29.6 pt -130.59 147.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 0.0 109.288 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.79 112.28 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.45 168.71 13.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 32.3 ttm -47.71 130.81 14.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -166.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 110.45 -20.68 25.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.047 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 77.29 50.64 6.58 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.12 138.88 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 409' ' ' THR . 0.0 OUTLIER -80.99 64.36 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -173.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 408' ' ' MET . 2.3 m -40.34 132.05 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -169.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 50.0 m -65.96 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.5 -62.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.0 142.73 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 416' ' ' THR . . . -95.68 162.49 13.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -61.13 112.52 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.3 m120 58.0 60.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -173.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 413' ' ' ALA . 42.4 m -53.51 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.38 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.3 t -166.2 -45.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.42 143.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.444 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 2.9 mt 69.64 134.28 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 169.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.3 Cg_endo -74.99 153.88 99.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.957 -2.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -166.4 170.38 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -142.6 139.81 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -118.28 164.56 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.556 159.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.9 p -173.95 -51.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -169.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -36.83 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 -174.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.6 59.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.44 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 10.5 m-85 -168.87 166.34 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 81.2 p -158.77 144.47 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.963 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 41.9 p -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -105.52 118.28 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -152.93 112.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.357 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.09 -17.99 60.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -54.7 -50.49 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.33 167.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -170.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.0 m -78.04 61.51 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.63 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.23 112.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -168.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 30.9 m -117.31 99.83 7.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.89 117.24 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.18 114.63 26.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.587 160.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.87 128.73 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.239 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.67 149.69 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.79 140.28 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 173.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 163.2 -150.89 20.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.96 38.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.249 151.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -97.59 128.29 44.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -41.07 55.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -154.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.96 136.57 40.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.3 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.04 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.33 60.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -105.98 -1.17 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -111.45 146.53 37.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -80.46 100.61 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 -162.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 35.5 p -68.52 154.62 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 170.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 0.0 OUTLIER -149.6 30.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 140.51 177.07 15.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.02 171.08 19.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.252 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.76 159.83 40.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 167.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -132.37 153.57 50.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -173.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -138.55 111.02 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 163.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -84.64 149.27 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.07 1.05 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.84 154.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -124.06 87.29 53.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.11 4.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.54 1.811 . . . . 0.0 110.958 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -153.68 157.28 32.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.04 2.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.532 1.806 . . . . 0.0 110.972 165.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.02 96.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.235 168.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 85.12 38.85 8.85 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 -175.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.551 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 2.6 ttt -58.28 -52.69 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.955 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.0 Cg_endo -75.12 74.71 3.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 110.943 -167.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -143.87 -56.46 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 6.8 mm -96.48 141.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -130.15 167.98 17.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.25 149.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 t -127.72 113.19 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 164.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.97 141.62 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . 0.44 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 64.8 m-85 -131.16 88.6 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.07 125.06 49.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -166.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.9 tt -106.07 133.0 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -99.54 -179.09 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.18 71.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -172.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.12 -16.47 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.73 22.26 43.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.35 127.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 107.69 8.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 167.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -87.57 91.29 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.61 168.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 71.8 t -101.25 123.51 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.9 p -151.65 136.21 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 -165.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -108.89 124.99 51.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -114.76 129.76 56.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -162.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.96 103.67 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 159.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.11 -26.56 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -160.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -82.64 -41.38 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.8 t -87.79 -30.52 20.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -169.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.19 74.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.72 160.02 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.261 171.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -164.5 166.41 20.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -130.7 154.1 48.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 152.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.62 146.56 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -162.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -142.78 122.94 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 42.8 p -102.3 129.59 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.74 120.63 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 178.495 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -70.16 110.29 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.332 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -109.26 27.67 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.235 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 21.7 m -65.6 -48.29 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 p -167.43 156.08 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 174.51 173.83 40.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--O 1.208 -1.105 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 176.807 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 29.3 m -65.83 167.96 8.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -133.3 116.44 16.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -128.25 168.73 20.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.5 pt -116.36 161.72 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -79.18 125.25 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 19.4 p -129.74 176.82 7.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.458 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 8.5 mtt -41.76 134.18 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 102.78 -4.91 50.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.423 1.077 . . . . 0.0 110.961 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 62.09 44.93 97.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.4 p -127.36 139.92 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -165.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.93 125.04 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 177.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.1 m -110.36 103.95 12.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.387 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 46.5 m -64.06 87.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.72 -32.26 21.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.68 139.96 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -111.63 167.06 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 178.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.57 99.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.3 t30 59.77 61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 1.9 m -30.95 -61.28 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 156.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' THR . . . . . 0.458 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 173.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 179.443 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 417' ' ' THR . 1.2 pt 57.4 168.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.47 3.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.007 -34.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.9 t -132.85 142.34 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -147.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -143.1 122.49 13.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -162.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -168.06 161.37 12.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.0 p -78.94 -48.51 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 61.49 28.53 17.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -165.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 23.5 t 58.83 77.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 60.2 m-85 -134.81 43.46 2.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 161.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 31.8 t -56.11 -64.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.8 p -140.99 127.0 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 159.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.92 46.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -129.58 102.71 6.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 110.288 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -74.07 -5.74 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.47 -47.94 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -173.74 179.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -173.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 26.0 p -68.7 67.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 166.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.96 178.87 8.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.371 -167.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.8 p -132.69 90.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 165.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 64.4 p -101.92 102.01 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.72 103.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -78.91 119.27 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 150.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.51 124.93 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.71 146.02 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -165.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.41 144.3 46.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 170.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -126.1 2.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -173.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -152.1 64.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 -168.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 71.01 -175.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 159.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 72.2 -172.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.368 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -49.28 132.82 19.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.84 80.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -161.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.59 56.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -169.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.12 -1.92 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.13 159.87 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.55 160.0 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 109.294 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 78.4 p -136.47 160.73 37.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.04 36.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.82 178.48 15.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -158.81 162.91 37.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.54 145.28 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.061 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -135.62 143.77 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 66.3 tp -116.08 92.99 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 155.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -95.55 160.97 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -168.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 84.82 42.23 7.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.4 tt -97.17 158.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.271 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.85 116.23 14.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 169.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 79.64 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.558 1.82 . . . . 0.0 110.962 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -146.73 151.56 42.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.67 32.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -162.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.74 113.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 127.21 -41.63 1.58 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -64.21 -57.59 17.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.766 . . . . 0.0 110.957 -168.474 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.4 Cg_endo -74.98 161.43 38.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -164.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -84.37 62.54 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.1 mm -124.55 134.91 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.246 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -108.82 126.63 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 166.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 66.5 t -121.5 120.57 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 164.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.7 m -116.12 128.65 55.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . 0.404 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 20.1 m-30 -111.77 89.16 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 173.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.6 123.37 44.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -155.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.94 116.31 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -81.85 178.28 8.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.92 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.09 -17.46 62.58 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.71 2.78 61.24 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.07 139.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.48 96.6 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 169.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -84.17 90.03 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 6.2 t -88.78 122.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 55.1 p -136.99 139.57 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -171.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.76 136.62 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -142.57 131.35 22.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -155.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.28 126.1 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 170.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -70.21 -32.42 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -161.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -85.18 -57.69 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 7.8 t -87.52 -18.2 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -173.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.83 64.61 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 164.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -81.12 150.59 28.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 0.82 . . . . 0.0 109.283 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.95 166.97 31.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -169.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -145.62 140.91 27.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 156.11 30.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -155.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.56 121.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 168.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 5.2 p -99.59 127.56 45.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -135.19 124.17 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 177.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -76.62 -26.39 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 56.04 61.47 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 64.6 m -83.77 157.35 22.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 99.1 p -81.4 170.82 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.76 54.12 2.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.591 1.182 . . . . 0.0 111.038 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.207 -1.157 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 178.73 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 54.9 m -52.96 142.25 20.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -167.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 10.2 mt -93.04 126.07 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 158.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -114.96 -179.85 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 157.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.93 156.97 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.24 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -84.49 93.84 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 3.8 p -78.65 142.53 37.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.22 134.4 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -161.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 124.93 -17.87 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -162.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 81.06 27.03 51.3 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.9 138.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.96 130.9 35.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 60.5 m -113.98 107.09 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 166.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 17.7 m -65.56 76.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.382 162.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -41.81 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.34 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.01 163.81 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.74 -21.96 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -97.85 60.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 159.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 t -174.13 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.438 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 7.7 mt 67.82 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 158.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.06 172.99 60.24 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.919 18.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 3.4 t -160.15 172.51 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 162.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -145.81 143.87 29.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 168.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -133.19 169.79 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 155.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 18.2 p -156.69 138.56 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.941 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -166.57 133.92 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 42.6 t -88.66 119.49 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 171.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -116.7 38.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 178.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -161.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -122.06 114.93 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.65 87.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -157.69 113.33 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.41 -26.41 64.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -71.48 -17.13 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 53.5 65.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -170.64 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.91 2.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.6 p -131.04 123.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.207 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 99.6 m -110.48 106.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 175.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.79 153.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -150.95 122.67 8.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.64 139.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.27 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -78.52 105.83 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.21 -173.45 42.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.027 -164.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -148.52 93.23 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 75.84 -175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 161.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.5 tttt 74.2 -158.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -170.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -74.74 142.12 44.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.53 80.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.03 -9.62 58.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 -169.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.95 -4.87 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -118.06 153.1 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.83 119.63 25.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -156.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 34.4 p -61.01 148.53 39.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -174.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -163.44 66.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 96.33 144.53 17.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 153.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.04 156.37 42.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 0.807 . . . . 0.0 110.286 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.58 147.74 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.12 149.01 44.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.57 139.13 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 166.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.78 124.38 40.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 158.9 49.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 167.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 31.4 mm -102.64 153.73 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.18 91.37 39.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 171.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 94.88 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.594 1.839 . . . . 0.0 110.965 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -157.43 167.32 14.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 468' ' ' GLY . 18.2 Cg_endo -74.97 -172.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.05 153.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 63.4 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 165.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 466' ' ' PRO . . . -99.59 22.17 41.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -172.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -49.56 -59.06 7.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.97 171.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.0 Cg_endo -75.1 72.52 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.955 -152.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -136.38 31.26 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 21.1 mm -125.68 153.1 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -135.02 137.61 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 153.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.48 122.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.44 142.3 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -167.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.32 93.2 3.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.957 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -123.57 121.25 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.235 -165.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.26 126.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -172.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.58 175.26 10.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.02 79.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.3 -20.79 60.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.48 24.06 17.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.1 139.61 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 157.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.07 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 167.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -73.99 110.45 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.597 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 63.9 t -104.6 132.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 172.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 87.8 p -147.42 150.27 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.18 54.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 170.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -133.23 117.79 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -95.45 118.8 32.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -170.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -74.45 -24.7 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -76.77 -53.95 7.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 10.2 t -88.06 -24.86 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -168.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 85.3 8.29 81.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.42 157.67 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 4.5 pt-20 -148.28 151.71 35.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 161.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -166.3 142.9 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -135.82 156.99 47.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -158.614 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -147.1 123.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -174.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 13.4 p -102.2 127.26 49.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -136.56 139.14 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 176.148 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -68.86 140.53 55.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -122.74 18.19 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 161.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 65.0 p -99.63 -72.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 151.01 39.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -82.33 164.76 44.12 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -170.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.429 0.723 . . . . 0.0 109.29 174.247 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 2.5 m 62.73 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.95 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.73 101.15 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 165.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -110.76 -177.21 20.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . 0.406 HD12 ' CZ ' ' A' ' 426' ' ' PHE . 13.6 pt -130.94 165.31 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 166.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -78.74 90.92 4.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.299 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 32.7 p -82.66 168.67 17.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.8 ttm -48.62 126.23 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.445 1.091 . . . . 0.0 110.958 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 121.31 -27.23 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -170.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 89.41 32.38 10.47 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.58 134.17 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.331 -163.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 39.3 ttp -74.12 92.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.059 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 49.4 m -83.31 106.59 15.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 25.1 m -74.55 96.36 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 167.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.26 -43.51 94.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 173.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.8 pt -143.93 134.19 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -89.25 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.82 149.21 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.7 t30 56.14 44.31 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 -161.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 20.6 m -39.77 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 162.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 8.1 t -175.54 43.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 162.17 39.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 -140.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.968 -20.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.4 t -156.12 172.5 18.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -149.12 91.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -160.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -89.22 84.06 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.554 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 95.3 p -88.0 149.63 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 110.063 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 56.5 51.26 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.296 172.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.13 -55.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.406 ' CZ ' HD12 ' A' ' 401' ' ' ILE . 59.7 t80 -89.58 151.33 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 428' ' ' THR . 37.9 t -142.74 -162.86 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' THR . . . . . 0.407 ' N ' ' OG ' ' A' ' 427' ' ' SER . 0.7 OUTLIER -78.12 74.65 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.366 -178.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.9 70.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.16 133.83 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -26.09 63.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -156.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.14 -32.57 74.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 48.67 41.49 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 72.2 m -125.12 -56.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -125.85 131.72 52.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.53 134.86 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.07 99.04 4.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 110.401 -169.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.5 mp -92.22 94.34 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -70.75 105.26 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 162.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.77 123.5 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -166.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 453' ' ' SER . 0.0 OUTLIER -167.83 173.28 8.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -175.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.97 160.09 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.332 -154.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -145.36 14.16 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -152.11 43.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 110.29 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -137.25 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 170.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.48 -53.25 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -166.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -87.18 136.6 32.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -162.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.09 81.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.27 9.78 24.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.87 45.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 167.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.83 167.69 24.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 162.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 99.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 -167.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 441' ' ' LEU . 74.5 p -52.95 146.82 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.951 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.51 32.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -171.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 85.84 -156.31 29.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -173.95 142.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -170.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.67 142.85 33.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -136.94 162.61 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 38.2 tp -151.63 139.39 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.12 104.45 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 175.38 52.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.8 mp -122.46 137.98 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 0.803 . . . . 0.0 109.249 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -87.79 134.57 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.366 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -42.0 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.6 157.65 74.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.23 10.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 167.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.78 99.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 167.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 142.45 -23.87 2.35 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.571 1.169 . . . . 0.0 111.033 -168.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 63.8 mtt 53.9 62.79 8.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.974 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.89 42.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.584 1.834 . . . . 0.0 110.987 -165.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -157.69 133.29 9.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.618 1.199 . . . . 0.0 110.21 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -143.7 121.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -165.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -118.02 100.03 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.67 100.21 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.27 137.39 50.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.93 89.84 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 155.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.77 117.87 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -156.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.4 tt -111.65 128.68 68.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -167.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -94.6 167.32 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.62 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.61 -18.2 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.79 22.42 25.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.62 139.98 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 tp -89.74 117.07 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 166.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -80.11 121.9 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.583 160.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.08 114.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 72.6 p -140.87 113.27 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -159.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -91.67 103.94 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -92.46 100.81 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -74.81 104.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -168.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.18 -44.15 16.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.246 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 24.3 t -80.34 -26.01 38.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.23 70.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.02 155.99 27.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 0.0 109.257 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.16 126.58 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 158.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -134.37 150.46 50.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.23 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 111.55 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -160.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -100.6 123.26 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 25.6 p -101.66 127.74 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . 0.409 HD11 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.69 118.84 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 178.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -52.48 147.39 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.72 95.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.98 -173.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 168.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 m -121.12 -58.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 59.71 -135.71 50.75 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.208 -1.119 0 O-C-N 124.535 0.786 . . . . 0.0 109.304 -165.694 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 17.9 m -52.76 102.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 26.1 tp -96.28 115.97 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -116.25 176.33 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 22.2 pt -118.8 144.13 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.263 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.84 112.56 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.8 OUTLIER -133.99 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.378 -167.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' MET . . . . . 0.523 ' C ' ' O ' ' A' ' 403' ' ' THR . 7.8 tpt 1.1 90.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -150.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 99.89 -63.86 0.65 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 166.09 58.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.71 136.52 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 166.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 11.9 ttt -75.45 89.65 2.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -73.4 87.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 110.369 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 61.6 m -61.57 87.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 156.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 9.6 tt -110.62 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 170.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . 0.59 ' O ' ' CG2' ' A' ' 412' ' ' ILE . 0.1 OUTLIER -79.86 65.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 177.186 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.9 169.94 10.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -69.33 -23.75 63.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -103.09 29.6 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -173.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.4 m -79.53 60.31 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 9.4 m 45.29 42.39 7.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.172 . . . . 0.0 110.408 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.403 HG12 ' CA ' ' A' ' 419' ' ' PRO . 0.0 OUTLIER -42.74 142.38 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 174.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . 0.403 ' CA ' HG12 ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.05 157.84 99.32 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.941 -13.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 10.2 t -158.31 160.49 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 167.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.87 87.29 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -161.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.57 161.77 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -167.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.4 m -130.2 -67.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 161.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 43.74 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 10.9 p -46.45 125.56 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -166.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -87.67 157.52 19.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 68.5 m -66.83 116.18 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.939 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.6 p -78.84 88.28 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.07 78.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -138.32 114.03 9.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.28 -26.29 62.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -165.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -69.44 -18.9 63.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 52.44 67.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 29.5 t -159.5 -52.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 -162.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -129.95 176.97 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.29 136.48 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 70.9 p -125.11 120.68 32.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.408 1.067 . . . . 0.0 110.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.2 mp -113.33 125.54 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 149.25 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 140.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.07 135.61 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 162.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 146.81 48.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -165.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -128.71 155.17 45.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 155.29 -95.94 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 111.08 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -159.13 44.67 0.26 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 110.34 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 446' ' ' LYS . 6.1 ttt180 63.11 -165.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 172.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 445' ' ' ARG . 3.2 ttpt 82.3 -161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -59.77 139.01 57.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.08 75.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -167.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.13 -6.3 58.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.03 164.3 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -173.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -69.54 121.02 16.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 5.0 p -94.03 141.47 28.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.022 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.67 56.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -168.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.17 113.26 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -109.24 142.05 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.47 162.74 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.73 164.97 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 48.5 tp -148.42 136.65 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 167.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -96.8 151.17 19.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 109.37 44.53 1.07 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.069 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -78.24 168.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 0.725 . . . . 0.0 109.254 172.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -126.31 84.41 62.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -169.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 75.73 3.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -162.83 164.02 16.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.69 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 85.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 160.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 100.99 36.58 3.89 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' MET . . . . . 0.414 ' N ' ' HD2' ' A' ' 470' ' ' PRO . 8.5 mtt -59.83 -43.49 95.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 110.997 152.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -75.0 -166.43 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 155.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 68.81 27.03 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 5.6 tp -158.03 135.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -137.28 146.35 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.24 108.72 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 159.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 137.85 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -140.45 98.46 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.985 168.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.97 122.97 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -148.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.1 tp -115.7 119.01 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -94.71 174.58 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.64 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.52 -18.07 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 92.29 12.61 58.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 172.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.58 139.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.556 0.797 . . . . 0.0 109.32 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 108.76 15.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 168.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -82.96 109.84 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 161.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 92.3 t -111.99 141.65 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.262 170.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 82.6 p -162.34 167.75 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.431 1.082 . . . . 0.0 109.905 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.24 142.69 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 168.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.64 116.09 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -86.33 114.09 22.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -77.98 -27.75 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 -171.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -70.6 -46.35 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 22.3 t -88.95 -23.39 22.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.19 10.66 70.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -80.57 158.53 25.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.09 153.99 33.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 164.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -159.26 141.39 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -157.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 499' ' ' ILE . 0.2 OUTLIER -150.54 118.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -172.572 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 16.8 p -111.24 126.94 55.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.467 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.95 128.93 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -62.67 -44.41 96.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 42.56 79.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -169.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 97.5 p -152.06 142.77 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 18.2 t 60.06 -170.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -79.15 -33.98 34.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 66.6 tp . . . . . 0 C--O 1.208 -1.095 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 -177.613 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 73.8 m -49.89 151.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 158.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 46.5 tp -144.81 76.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -80.49 -173.52 46.68 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.55 160.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.239 -173.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.61 88.19 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.251 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 404' ' ' MET . 2.5 p -79.98 160.34 25.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 174.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 403' ' ' THR . 11.0 mmt 2.4 95.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -144.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . -42.4 110.51 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -148.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 161.19 -43.06 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.24 144.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.9 ttt -92.31 151.45 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.942 -168.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 63.5 m -134.04 108.93 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.398 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 73.3 m -71.54 79.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 165.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.17 -31.29 68.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 170.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -112.5 137.94 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -175.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -119.32 171.58 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -78.61 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.6 23.09 13.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 2.6 m -78.13 11.78 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.421 171.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 54.9 m 83.29 -53.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 148.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 47.9 mt 76.32 145.13 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 159.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.04 81.64 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.075 -2.469 . . . . 0.0 111.008 -13.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 5.2 t -167.16 165.82 15.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.449 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -128.61 119.49 24.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.364 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -114.54 75.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.8 t -77.03 -54.09 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -170.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 57.3 -167.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.3 86.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -85.05 121.54 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 44.8 m -60.22 134.25 56.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.0 m -79.01 93.41 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.385 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.95 77.41 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -145.02 115.33 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -157.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.13 -3.96 58.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 52.66 38.56 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.2 m -116.49 -48.1 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -128.89 -178.58 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.5 p -135.72 144.61 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 167.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -123.96 126.42 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.36 169.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 137.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 172.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.05 139.35 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 153.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.27 129.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 169.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 150.68 44.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -167.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.84 146.64 41.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -172.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 128.41 -98.76 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -171.89 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 110.31 163.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -165.2 35.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 -160.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -132.53 -56.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.248 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 128.04 56.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -175.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.23 92.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -174.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.91 -11.06 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -164.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.14 27.24 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -137.25 157.63 46.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -76.57 119.48 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -168.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 88.1 p -75.7 157.69 33.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -172.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.0 66.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 113.8 113.56 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 151.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -102.33 146.19 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 110.363 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.23 146.83 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.923 167.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -145.08 153.45 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.24 136.86 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -83.97 144.2 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 174.69 -42.7 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -163.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.41 141.68 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -176.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -107.21 123.85 37.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -163.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 168.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . 178.98 158.95 0.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -171.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 44.84 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 167.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -82.68 105.14 13.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -167.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.27 32.03 68.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 49.41 61.99 12.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.007 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.67 32.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 -161.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -163.44 136.42 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.65 106.01 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -169.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -101.71 107.51 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.49 98.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.9 m -78.74 143.6 36.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.63 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 168.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -120.64 123.38 42.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -162.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.5 tt -80.78 127.3 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.06 170.28 16.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.43 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.88 -16.77 61.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.56 8.09 58.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.5 mt -74.94 141.16 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.246 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.65 98.66 8.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 166.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 118.43 12.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.617 155.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 88.2 t -121.72 134.37 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 166.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -150.08 151.2 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 -170.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -119.48 121.53 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.226 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -112.09 117.69 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 -170.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.8 120.42 31.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -15.72 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 173.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.75 -57.7 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.5 t -97.17 -27.24 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.977 -168.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.39 10.4 70.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -80.29 145.73 31.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.297 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -138.44 93.38 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -84.43 137.02 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 152.06 51.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -161.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.3 136.74 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 175.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 3.0 p -122.81 114.65 20.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.404 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.0 141.97 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 -172.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -92.09 -57.91 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -157.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 58.92 50.77 8.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 167.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 17.9 t -110.36 48.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.2 t 56.47 76.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 171.11 -46.82 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.925 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.208 -1.085 0 O-C-N 124.472 0.748 . . . . 0.0 109.354 -172.804 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 49.2 m -54.12 136.92 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.493 HD23 HD13 ' A' ' 484' ' ' LEU . 8.9 tp -140.98 107.37 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -106.74 175.8 21.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.6 pt -118.53 168.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 0.723 . . . . 0.0 109.303 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.59 108.97 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 17.3 p -102.68 176.5 5.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.434 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.5 ttm -48.71 127.82 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 100.24 25.72 8.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 170.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 61.36 36.14 92.03 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.12 140.51 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -76.89 144.02 39.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.5 m -135.0 119.18 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 167.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 42.2 m -71.79 80.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 170.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 60.6 mt -83.75 -10.91 57.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.02 142.77 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -115.97 166.35 12.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -166.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -54.34 -44.6 72.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -111.35 50.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.377 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 420' ' ' THR . 87.6 m -76.42 61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 170.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.5 m 40.33 59.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 162.48 57.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -168.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 164.32 88.62 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 120.95 -2.521 . . . . 0.0 110.975 -21.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 416' ' ' THR . 15.3 t -160.07 174.79 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -150.83 96.54 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -101.08 142.49 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 73.3 p -146.45 69.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 425' ' ' VAL . 0.3 OUTLIER -174.44 174.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -175.295 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 425' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 424' ' ' GLN . 12.0 m 32.57 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 -167.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.591 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 0.3 OUTLIER -145.4 106.81 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 173.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 48.9 m -143.12 153.66 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -173.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -79.86 132.08 36.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.61 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -164.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -84.88 88.17 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -161.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -67.84 -30.94 70.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.45 0.61 57.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -166.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -114.04 -172.21 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.29 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 p -130.74 43.44 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 158.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.17 167.22 30.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -172.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 4.8 p -109.82 143.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 68.4 p -138.68 94.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -80.06 132.98 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -116.62 135.63 53.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 166.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 440' ' ' VAL . 0.9 OUTLIER -102.91 117.25 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -169.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 8.7 mt -118.35 103.49 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -162.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.82 139.42 38.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 114.88 157.17 11.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -103.61 108.83 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.53 136.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -171.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -64.47 -61.64 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.252 -169.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -67.0 139.75 57.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.86 60.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.76 -8.7 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.61 15.13 23.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -131.72 152.74 50.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.56 94.44 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -159.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 96.6 p -75.51 146.95 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 109.982 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -148.2 13.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 174.42 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -166.88 142.0 7.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -160.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -165.85 154.63 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.285 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 148.89 26.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 111.082 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.95 158.1 42.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -168.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 497' ' ' GLN . 39.4 tp -154.86 130.34 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.86 151.01 24.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.55 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.44 151.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -168.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 176.307 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -135.1 129.26 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -164.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -135.11 131.72 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 426' ' ' PHE . 21.3 t -110.9 132.3 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.66 145.78 37.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 54.2 m-85 -105.13 94.42 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.56 121.75 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.415 HD11 HD12 ' A' ' 484' ' ' LEU . 0.3 OUTLIER -104.89 129.32 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 178.311 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.93 175.23 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.28 94.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.218 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.87 -17.61 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 96.21 23.8 16.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.8 mt -73.5 131.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.493 HD13 HD23 ' A' ' 399' ' ' LEU . 0.4 OUTLIER -81.18 105.61 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 171.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -93.1 92.1 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.17 127.03 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -172.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 47.0 t -139.43 127.41 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.97 -158.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -113.68 133.33 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -134.53 115.58 14.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -96.13 110.01 22.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -78.09 -25.07 47.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -76.23 -48.93 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 28.0 t -82.82 -24.97 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.27 70.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.29 141.14 35.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.273 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.42 140.21 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 154.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' GLN . . . . . 0.464 ' HB2' HD13 ' A' ' 459' ' ' LEU . 0.0 OUTLIER -154.45 134.81 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 172.002 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -150.27 154.28 37.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.244 -163.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.88 134.74 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -165.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 12.4 p -111.65 126.73 55.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.04 124.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -56.86 159.2 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -133.72 57.09 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.322 169.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 81.0 p -156.89 159.44 38.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 41.0 t 51.47 81.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.769 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.7 m -60.84 93.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 166.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 400' ' ' GLY . 6.8 tt -79.89 127.41 32.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 171.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 400' ' ' GLY . . . . . 0.518 ' N ' HD23 ' A' ' 399' ' ' LEU . . . -141.2 145.84 16.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.062 169.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -92.96 165.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.47 92.72 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.5 p -91.8 146.98 23.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.3 ttm -50.24 133.77 23.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -162.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.95 -17.12 6.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 82.11 31.46 31.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -173.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 13.1 p -140.88 131.92 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -77.49 154.09 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 93.8 m -130.69 113.01 13.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 172.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 63.2 m -65.35 73.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 163.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.53 -19.31 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.3 tt -140.4 149.66 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -139.77 166.93 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -164.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -75.65 -7.91 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.38 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -120.51 60.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 168.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.593 HG22 HG21 ' A' ' 420' ' ' THR . 51.1 m -113.8 60.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.182 . . . . 0.0 110.339 164.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 89.4 m 67.18 -75.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.456 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 29.2 mt 60.78 92.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.3 Cg_endo -75.11 165.53 85.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 20.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.593 HG21 HG22 ' A' ' 416' ' ' THR . 8.8 t -163.35 -178.66 6.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 150.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.65 122.9 15.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -124.67 155.99 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 32.1 t -149.52 51.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -58.63 155.59 12.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.3 134.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -144.12 82.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -60.26 144.92 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.06 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 5.6 p -79.01 123.84 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.58 -6.48 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 -167.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.65 80.26 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 168.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -68.9 -27.02 65.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 109.303 -166.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -71.95 -26.72 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -92.49 135.93 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.238 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 m -82.58 63.13 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.22 172.56 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.3 p -129.6 136.67 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -121.3 110.52 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.374 -172.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.23 134.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.373 170.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -137.91 107.57 6.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 56.0 t -74.31 134.48 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.263 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.92 160.41 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 168.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -156.1 158.42 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.333 165.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 145.18 -142.08 10.47 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.517 1.136 . . . . 0.0 111.06 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -145.32 39.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.19 117.82 16.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 168.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.25 -39.33 68.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 -164.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -61.57 119.19 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.18 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -150.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.84 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.79 -2.14 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -105.07 162.52 13.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -68.63 137.28 54.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 36.7 p -78.29 152.13 32.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 8.1 tp -152.1 53.41 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 77.29 171.57 35.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.31 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.92 137.43 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -177.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -141.72 153.77 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.71 143.98 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.0 175.63 6.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -168.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.74 21.8 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.35 162.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.372 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 171.572 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -137.37 110.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -97.81 126.0 42.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 163.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 48.2 t -108.41 83.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 152.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 6.5 m -68.79 116.21 9.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -93.34 88.57 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.22 120.77 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -163.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tt -104.75 124.06 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.81 167.19 21.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.18 -27.97 69.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.93 -18.0 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.22 13.62 51.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.6 mt -80.52 137.93 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 168.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.436 HD12 HD22 ' A' ' 399' ' ' LEU . 0.2 OUTLIER -87.68 96.99 10.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 171.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -77.06 95.71 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 109.56 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.423 HG23 HD22 ' A' ' 484' ' ' LEU . 56.8 t -96.56 125.31 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 152.45 46.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.08 140.84 46.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.437 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 1.0 OUTLIER -146.99 113.71 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -174.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.65 123.33 39.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.242 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -76.06 -16.13 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 168.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.91 -55.89 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.7 t -102.86 -21.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.72 10.16 70.44 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -80.98 154.7 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.378 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' GLU . . . . . 0.437 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 19.6 pt-20 -160.07 155.91 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 168.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.04 179.8 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.69 155.17 46.55 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 -159.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.592 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -148.11 122.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 170.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.592 ' N ' HD13 ' A' ' 499' ' ' ILE . 11.6 p -102.38 129.58 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.02 124.58 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -68.8 159.21 32.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 172.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -153.66 144.5 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 4.2 t 63.54 -179.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -160.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 16.1 m 51.63 45.2 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.107 -174.788 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 58.5 m -51.08 112.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 399' ' ' LEU . 9.7 tt -81.79 133.2 35.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.371 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.94 159.91 28.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 166.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.6 pt -109.63 165.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.376 0.692 . . . . 0.0 109.302 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.93 84.85 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 426' ' ' PHE . 5.6 p -79.4 178.19 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.451 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 43.4 mtt -42.28 120.25 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 116.07 -19.4 13.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 85.39 41.51 7.36 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.79 139.24 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -74.58 106.73 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 98.5 m -97.55 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.345 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 97.0 m -65.41 82.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 164.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 411' ' ' LEU . 3.4 tm? -67.9 -53.57 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 171.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.21 133.73 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -90.78 157.46 17.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 109.329 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.0 111.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 62.47 63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -174.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 417' ' ' THR . 90.8 m -69.87 63.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 167.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 416' ' ' THR . 36.2 m 40.72 67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.6 pt -72.41 163.53 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -165.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.74 87.72 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -23.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 11.6 t -164.73 162.34 21.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -118.12 143.66 46.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -131.04 119.5 22.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.585 166.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 7.1 p -92.45 125.25 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.963 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.66 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 49.9 t -114.68 127.42 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.459 ' CD1' HG22 ' A' ' 403' ' ' THR . 0.1 OUTLIER -163.41 39.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 173.699 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.1 p -133.15 27.53 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 39.2 p -128.49 63.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.473 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.09 -46.97 31.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -93.4 116.73 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.08 -34.45 76.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.03 -41.26 97.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.48 102.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 48.9 m -81.1 60.61 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -161.03 172.58 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.275 -174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 5.1 m -114.12 147.31 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 152.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.2 p -137.26 96.12 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.405 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.9 mp -100.94 129.54 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -109.81 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.555 158.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.34 129.96 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.53 163.74 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 174.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -145.76 140.48 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 166.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 161.52 -157.43 29.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.77 38.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 447' ' ' ARG . 5.2 mtm180 -119.0 10.89 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -170.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 68.44 -76.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.275 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 445' ' ' ARG . 6.6 mtp-105 -65.64 138.78 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.223 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -24.11 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.233 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.18 -9.9 58.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.32 0.01 24.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.41 148.14 31.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -160.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -81.02 110.92 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -166.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 31.1 p -79.59 147.71 31.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.54 21.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 175.498 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -179.8 147.63 7.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -165.6 148.89 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.365 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -164.56 161.32 21.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.963 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -136.19 170.13 16.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 16.6 tp -142.61 101.92 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 160.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.14 150.42 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 82.11 27.16 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -172.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 472' ' ' ILE . 5.2 tt -74.7 144.41 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -166.86 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 462' ' ' ILE . 1.8 tp -97.5 140.19 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 165.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -137.44 102.61 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.71 96.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.213 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.2 m -74.02 140.2 45.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -117.46 91.1 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 160.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -110.51 119.63 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.19 124.24 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -173.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.8 168.21 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -167.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.12 77.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.96 -17.55 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 94.64 18.84 33.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 483' ' ' ILE . 2.1 mp -95.27 139.43 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 17.2 tp -88.79 113.95 24.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 168.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -87.04 114.9 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.569 167.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.32 130.71 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 88.3 p -149.9 131.57 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.56 102.17 14.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -100.67 107.88 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.5 116.64 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -77.06 -25.43 52.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.351 -171.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -84.91 -48.66 9.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.37 1.044 . . . . 0.0 109.268 -173.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 32.7 t -74.27 -30.75 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.57 84.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -81.23 148.99 29.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -138.33 119.93 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 167.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -102.93 126.86 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -102.83 151.65 22.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 -164.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.656 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.47 124.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 162.34 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.656 ' N ' HD13 ' A' ' 499' ' ' ILE . 22.5 p -98.98 128.35 45.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -135.49 137.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 174.406 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -59.15 161.23 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.26 156.64 48.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 3.3 t 74.05 115.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.1 t 60.26 -166.96 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -178.457 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 38.6 m -68.94 121.65 17.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 400' ' ' GLY . 6.8 tt -86.97 135.28 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 400' ' ' GLY . . . . . 0.601 ' N ' HD23 ' A' ' 399' ' ' LEU . . . -145.41 143.86 12.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 172.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.461 HD13 ' CE1' ' A' ' 476' ' ' PHE . 1.7 pt -95.27 151.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -172.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -79.56 116.85 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.315 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 403' ' ' THR . . . . . 0.434 HG23 HG13 ' A' ' 401' ' ' ILE . 26.6 p -114.17 169.48 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.414 166.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 36.7 ttm -50.51 138.28 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 114.39 -14.49 20.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 68.75 42.52 79.15 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.91 137.59 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -167.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 9.5 ttt -79.41 99.58 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 111.09 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 84.8 m -75.27 88.97 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 55.6 m -70.19 76.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.751 HD22 ' O ' ' A' ' 411' ' ' LEU . 0.0 OUTLIER -82.08 -5.7 58.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -177.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.86 149.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.241 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.2 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -50.2 -37.86 37.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -111.42 61.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -175.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.53 HG22 HG21 ' A' ' 420' ' ' THR . 37.8 m -92.62 46.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 57.2 m 61.31 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 416' ' ' THR . 2.6 mt 67.18 132.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.312 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.46 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.0 158.41 99.02 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.991 -1.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.53 HG21 HG22 ' A' ' 416' ' ' THR . 8.0 t -164.63 169.48 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.419 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -135.44 130.56 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -126.62 152.22 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.0 p -163.01 171.69 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.079 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 65.01 174.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 2.9 t 56.87 36.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -159.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -148.62 150.91 34.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.4 m -175.68 176.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -167.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.1 p -77.53 74.06 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.25 77.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.02 130.25 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -161.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 52.31 50.5 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.356 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 49.7 m -160.19 -51.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -106.03 167.1 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.7 p -131.84 118.29 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 7.5 t -101.02 135.54 42.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 172.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.3 mp -118.6 127.88 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 163.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.52 109.08 19.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.594 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.8 131.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 3.1 mt -120.68 167.52 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 166.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.77 139.46 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 153.73 -134.15 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.02 41.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.31 160.09 34.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.62 -56.28 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -85.6 146.35 26.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -80.77 -15.46 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -160.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.34 -9.45 58.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.32 12.28 18.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.354 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.07 148.55 42.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.264 -169.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.78 142.7 32.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -169.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 11.8 p -80.52 160.92 25.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -174.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.21 48.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 163.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 64.57 -167.21 29.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -155.6 163.75 39.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.246 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.75 143.42 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 168.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.13 137.92 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.6 148.29 30.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 172.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.61 163.83 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.273 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.61 -43.78 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.33 144.05 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -170.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 177.797 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.11 137.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -171.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -126.33 139.35 53.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 157.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 114.98 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 161.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 2.3 m -86.93 147.34 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 401' ' ' ILE . 93.5 m-85 -138.83 89.1 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -133.8 124.29 26.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -157.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.6 tt -101.4 132.65 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.387 1.055 . . . . 0.0 109.353 -169.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.84 172.69 8.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.18 77.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.32 -17.02 63.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 19.39 30.93 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 483' ' ' ILE . 1.9 mp -92.36 134.24 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 109.285 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.3 tp -82.4 110.89 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.366 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -81.5 120.13 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.643 164.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 72.1 t -120.33 133.35 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -153.29 155.58 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 -171.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.76 141.89 51.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -131.84 111.07 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.52 125.27 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -173.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 169.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.97 -56.58 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.329 -170.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.8 t -99.94 -11.27 20.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.934 -171.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 79.24 10.56 85.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -77.29 157.08 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.361 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -148.27 131.43 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 162.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -129.97 139.83 51.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 146.45 49.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 130.76 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.3 p -111.02 126.63 55.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.398 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.73 132.27 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -177.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -79.69 138.83 37.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -86.06 63.18 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 14.8 t -171.39 142.13 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 26.9 t -162.35 -58.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 40.4 m -60.32 141.72 55.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 400' ' ' GLY . 0.6 OUTLIER -102.51 117.39 34.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -177.347 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 400' ' ' GLY . . . . . 0.519 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -126.12 -179.64 15.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 4.5 pt -131.91 163.87 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.355 173.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -77.91 126.98 31.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.84 164.41 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.391 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.6 ttm -52.23 124.89 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -163.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.73 -22.59 4.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.32 33.31 14.43 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -173.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.1 146.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -168.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.95 152.47 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.2 m -127.33 125.5 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 164.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 36.0 m -67.73 73.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -38.77 92.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.24 152.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.231 170.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -124.57 168.53 12.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 176.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -54.67 -42.51 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -175.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -121.22 60.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 418' ' ' ILE . 46.2 m -76.76 50.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 167.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.1 m 52.64 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 -160.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.482 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 45.8 mt 67.09 130.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -176.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.93 158.08 99.2 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.089 0.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.447 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -160.92 166.28 28.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.477 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -144.46 127.14 16.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -163.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -151.44 160.68 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 424' ' ' GLN . 84.6 p -145.15 -89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 173.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 424' ' ' GLN . . . . . 0.762 ' O ' HG12 ' A' ' 425' ' ' VAL . 33.4 tt0 54.69 39.84 31.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 425' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 424' ' ' GLN . 2.1 p 62.92 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 158.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -154.19 135.75 14.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.8 m -67.41 129.57 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -165.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.39 68.42 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 166.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.17 70.98 10.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.84 105.34 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.32 -22.62 54.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -171.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.65 -29.16 69.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -162.96 134.79 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.5 p -71.11 73.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -144.17 130.62 19.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.5 136.25 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 437' ' ' THR . 15.2 t -132.73 116.27 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.8 mp -94.22 102.23 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.182 . . . . 0.0 109.262 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -80.48 102.66 9.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 161.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -89.31 130.42 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -163.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.11 141.2 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -112.77 132.27 55.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 156.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.71 174.05 17.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.568 1.168 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.22 51.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.253 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 42.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -171.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 63.4 -89.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.96 134.07 44.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -168.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.36 80.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -163.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.99 -8.23 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -106.72 5.03 28.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.78 162.75 16.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -79.66 84.11 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 55.1 p -68.51 156.64 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.59 46.3 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.17 -160.83 14.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -164.12 160.08 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.252 -172.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.18 138.71 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 173.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -128.39 163.39 24.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -146.74 119.37 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 173.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -97.51 151.13 20.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -161.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.2 44.93 4.89 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.52 87.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -173.853 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 7.0 tp -78.98 135.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 162.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -119.41 102.15 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.382 169.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.86 119.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 167.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' THR . . . . . 0.489 ' OG1' ' NZ ' ' A' ' 489' ' ' LYS . 79.0 m -97.67 145.25 26.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.453 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.43 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -125.65 124.38 41.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.7 tt -113.47 128.23 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -170.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.55 -179.6 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.7 70.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -171.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.84 -18.01 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.48 45.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.31 129.12 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 119.62 23.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 170.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -92.83 104.23 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.591 172.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.41 114.88 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.5 p -146.71 144.69 29.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -163.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -132.23 127.67 36.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.489 ' NZ ' ' OG1' ' A' ' 475' ' ' THR . 14.4 pttm -143.58 110.57 5.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -167.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.06 118.66 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -76.07 -15.76 60.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -81.38 -51.91 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.6 t -92.56 -24.68 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -167.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.77 69.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -71.26 152.18 43.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.65 134.35 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 166.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -142.61 157.24 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 164.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.82 147.06 34.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -169.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -136.77 127.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 175.163 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.611 ' N ' HD13 ' A' ' 499' ' ' ILE . 18.0 p -106.99 129.15 54.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.426 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.93 137.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.62 1.2 . . . . 0.0 109.28 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -64.93 137.15 57.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -103.22 51.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 45.3 t -165.23 -50.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 93.1 p -132.05 62.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 178.944 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 50.8 m -78.04 134.96 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -164.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 400' ' ' GLY . 1.9 tm? -85.14 128.22 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 400' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -142.76 177.34 21.87 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.443 1.09 . . . . 0.0 111.036 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.65 171.23 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 109.331 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.77 135.7 36.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 165.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.8 p -131.7 175.74 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 171.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 26.8 tpp -48.86 136.9 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -168.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 107.57 -2.67 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 67.86 35.54 85.03 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.1 129.31 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.239 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 4.2 ptm -85.67 151.73 23.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -163.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -104.97 113.11 26.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 67.5 m -66.88 71.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 162.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.456 HD11 HD11 ' A' ' 484' ' ' LEU . 0.8 OUTLIER -70.66 -29.2 65.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -175.352 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.21 138.09 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -107.86 164.56 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -54.78 114.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 4.0 t30 62.78 61.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.491 HG22 HG21 ' A' ' 420' ' ' THR . 94.3 m -72.55 63.43 0.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 168.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 416' ' ' THR . 1.9 t 33.76 59.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 174.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.7 pt -67.78 160.67 72.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.88 89.69 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.982 -17.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.491 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -162.17 170.33 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -141.19 136.75 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -169.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -129.14 159.17 36.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.611 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.3 p -163.31 161.12 24.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' GLN . . . . . 0.421 ' O ' ' HB ' ' A' ' 425' ' ' VAL . 1.2 tt0 62.08 -167.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 173.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 425' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 424' ' ' GLN . 21.8 t 72.22 -58.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.413 ' CE2' ' CZ ' ' A' ' 476' ' ' PHE . 16.2 p90 -128.64 143.38 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 156.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 2.3 m -171.46 -63.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 44.2 p -134.1 39.84 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.88 77.3 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -151.49 126.84 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -163.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.54 -19.08 62.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -162.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -52.15 -46.97 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.226 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 46.21 56.85 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 m -163.59 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -134.43 146.58 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 170.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.91 132.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 20.0 p -123.91 98.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.84 126.37 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.64 114.61 23.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.642 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.14 131.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -171.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.13 142.28 51.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -113.51 124.28 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.283 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 173.22 -126.1 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -166.95 75.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 70.89 -169.72 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 158.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 68.41 -160.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.614 1.196 . . . . 0.0 109.293 -175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -68.01 144.16 55.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 -172.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.04 65.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.35 -11.59 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -96.12 -10.38 28.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -115.26 151.14 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -167.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -87.35 110.3 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.301 -158.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 13.6 p -71.86 144.32 49.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.665 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.82 14.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 171.347 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -161.39 136.85 4.61 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -158.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -157.03 139.46 14.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.803 . . . . 0.0 110.317 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.53 145.84 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -139.25 160.28 40.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 -169.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 13.2 tp -156.89 142.4 17.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.85 150.91 23.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -166.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.56 34.21 1.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 35.0 mm -85.65 78.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.256 164.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.2 t30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -166.253 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.31 137.26 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 -168.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -144.45 142.02 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.253 167.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.01 108.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 97.6 m -88.37 145.17 25.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 -172.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.413 ' CZ ' ' CE2' ' A' ' 426' ' ' PHE . 92.2 m-85 -128.75 89.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 174.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.95 122.84 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.6 tt -102.98 129.99 53.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -95.91 179.58 5.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.57 70.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -172.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.14 -18.05 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.04 20.73 52.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.7 mt -96.25 138.99 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 168.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.47 HD13 HD12 ' A' ' 399' ' ' LEU . 0.4 OUTLIER -85.87 119.15 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 172.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -92.16 110.52 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.523 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 73.6 t -107.11 116.41 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 4.6 m -137.47 139.7 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -162.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.45 145.0 49.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -141.1 104.4 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.12 124.68 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -68.34 -33.19 73.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 169.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -70.0 -46.57 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.319 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 4.8 t -90.83 -20.33 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.23 3.14 82.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.909 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -81.75 151.11 27.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 109.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -143.97 145.76 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 158.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.38 164.11 27.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -140.29 147.32 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.5 135.78 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 170.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 34.6 p -116.64 120.8 39.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 110.377 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.81 125.44 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -175.191 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.81 145.77 44.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -117.84 102.36 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 47.1 t -71.11 87.26 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 58.4 m -76.77 71.42 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 172.587 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 43.7 t -43.76 115.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.053 175.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 399' ' ' LEU . 2.1 tm? -94.91 119.94 34.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -170.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 400' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -138.26 -172.28 12.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.939 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.68 172.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.331 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 121.23 24.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 161.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 2.7 p -112.06 173.8 6.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 59.4 mtm -49.59 143.0 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -163.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 92.6 1.52 68.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.412 1.07 . . . . 0.0 111.038 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.69 60.39 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.41 137.66 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.23 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.46 148.27 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -141.29 120.57 13.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 22.8 m -79.9 117.55 20.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 156.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.825 ' O ' HG23 ' A' ' 412' ' ' ILE . 0.0 OUTLIER -115.23 1.43 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -172.361 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 411' ' ' LEU . 3.0 pt -157.52 151.65 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 147.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -91.39 170.12 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -168.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 415' ' ' ASN . 20.1 mmtt -38.81 130.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 414' ' ' LYS . 51.5 t30 80.66 -61.99 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 174.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 417' ' ' THR . 85.9 m 37.26 60.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.453 -161.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 416' ' ' THR . 57.0 m 40.38 76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.44 157.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.8 pt -67.47 173.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -163.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.97 -39.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.429 HG21 HG22 ' A' ' 416' ' ' THR . 7.7 t -166.34 159.0 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.64 135.3 46.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -175.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -137.16 163.52 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.637 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.0 t -145.97 -71.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -85.34 63.1 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 426' ' ' PHE . 11.0 m -90.19 -24.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' HG23 ' A' ' 425' ' ' VAL . 0.9 OUTLIER -153.38 39.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 157.175 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 7.2 p 58.48 -165.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 20.6 m -78.69 71.32 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 169.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.31 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -156.79 98.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -166.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -67.39 -28.19 67.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.51 -40.35 96.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -174.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 46.45 70.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 -168.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.15 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -169.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -158.67 129.31 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -174.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 436' ' ' VAL . 30.8 m -78.41 91.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 28.0 p -87.21 89.89 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.2 mp -80.83 102.07 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.386 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.43 110.35 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 160.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.48 124.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.76 150.42 36.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -166.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -133.09 165.63 24.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 149.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.62 -175.97 42.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -147.94 131.34 16.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 0.764 . . . . 0.0 110.246 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.0 21.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 166.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.6 tttm 68.76 -70.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -169.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -74.73 134.81 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.9 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.07 -8.91 59.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -162.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -107.11 0.1 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -92.29 161.16 14.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.25 82.59 6.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 19.8 m -64.24 158.95 21.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 34.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 127.11 -167.09 19.65 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -161.17 161.95 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.294 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.14 148.0 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 170.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -137.49 151.18 48.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -172.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.64 127.62 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' ASP . . . . . 0.402 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 16.8 p-10 -100.84 161.28 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -169.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.3 30.4 14.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.1 mt -112.59 136.98 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 -171.586 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.4 tp -147.52 115.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -162.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.15 129.1 37.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 163.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 42.7 t -104.45 98.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 133.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' THR . . . . . 0.444 HG22 ' OD2' ' A' ' 477' ' ' ASP . 0.3 OUTLIER -68.31 144.08 54.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.377 -171.329 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -138.5 89.1 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 477' ' ' ASP . . . . . 0.444 ' OD2' HG22 ' A' ' 475' ' ' THR . 0.0 OUTLIER -122.96 123.22 40.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -166.136 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.12 123.39 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -87.71 167.39 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -173.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.65 71.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.14 -17.16 61.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 22.55 22.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 16.8 mt -91.33 139.73 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.4 104.59 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.51 113.78 21.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.45 133.55 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 91.7 p -158.17 170.54 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.94 139.03 44.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -141.23 102.08 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -170.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.04 117.16 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.95 -32.44 69.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.95 -49.0 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 30.9 t -83.43 -27.89 29.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.035 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 86.05 9.86 76.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.402 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 29.0 tttt -69.45 146.44 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -159.04 109.99 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -169.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -139.05 139.3 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 155.6 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -159.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.13 128.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 2.4 p -109.63 127.53 54.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.372 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -132.17 116.55 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.41 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -59.31 145.4 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -68.35 77.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 2.8 t -74.38 -173.88 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -162.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.9 t -150.84 153.56 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.069 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.259 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 57.5 m -62.96 88.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.5 tp -84.21 137.19 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 163.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -140.65 174.97 22.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 476' ' ' PHE . 0.8 OUTLIER -125.89 158.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 178.097 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.71 102.53 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 172.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 404' ' ' MET . 65.4 p -108.55 -174.4 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 164.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 404' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 403' ' ' THR . 4.1 mmt 3.33 87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -161.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 87.58 -71.29 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 152.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . -163.96 43.07 0.32 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.0 p -133.87 135.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.76 138.18 41.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 53.4 m -110.84 122.75 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.393 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.8 m -59.71 99.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 169.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.444 HD12 ' HB ' ' A' ' 412' ' ' ILE . 2.3 pp -74.38 -28.37 61.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.444 ' HB ' HD12 ' A' ' 411' ' ' LEU . 0.1 OUTLIER -146.89 151.46 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -101.83 155.9 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.21 -29.64 69.94 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -111.76 60.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.2 m -98.4 25.68 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 167.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 27.5 m 60.93 69.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 419' ' ' PRO . 19.5 mm -66.43 147.55 98.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.605 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 165.24 86.4 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.049 -15.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 1.4 t -155.07 157.51 37.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -162.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -144.28 131.13 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -143.13 136.1 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.588 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.45 160.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 60.04 30.99 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.08 20.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -146.67 99.87 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -77.3 146.15 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -175.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 14.9 p -79.51 71.79 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.42 99.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.4 133.8 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.34 -17.8 62.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.58 -40.43 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 49.13 49.22 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.1 t -168.21 -47.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.039 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -121.58 -179.31 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.74 132.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 164.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 41.4 p -133.63 99.13 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -169.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.21 125.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -96.85 120.42 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 149.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 440' ' ' VAL . 1.2 t -81.33 120.04 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 172.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.08 135.0 35.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -111.23 163.26 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 171.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 119.68 156.96 10.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.073 . . . . 0.0 111.027 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -84.69 67.82 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.272 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -133.86 130.05 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -74.82 -32.71 62.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -78.54 126.04 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.74 83.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -169.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -91.78 37.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -168.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 1.6 11.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 165.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -118.03 164.69 14.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -155.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -77.83 95.42 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 -172.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 85.4 p -62.0 146.12 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 170.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.43 37.15 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 141.69 170.29 12.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -164.22 157.17 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.64 160.34 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -136.16 156.58 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -144.97 116.74 8.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -94.44 118.3 31.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.11 48.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.81 66.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.432 0.725 . . . . 0.0 109.259 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -170.868 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.3 tp -83.93 145.5 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -168.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.31 134.33 50.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 154.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.38 128.76 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 85.3 m -97.81 145.11 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 401' ' ' ILE . 96.7 m-85 -140.73 89.65 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.948 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -137.16 124.82 22.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -155.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.498 HG13 HD22 ' A' ' 484' ' ' LEU . 3.5 mp -87.92 123.6 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.09 173.6 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.33 -28.41 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.334 -168.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.33 -17.96 63.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.48 22.36 37.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.52 139.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.498 HD22 HG13 ' A' ' 478' ' ' ILE . 0.0 OUTLIER -75.35 114.18 13.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 165.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -86.43 121.28 28.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 159.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.0 t -125.46 131.21 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 99.2 p -154.18 140.99 19.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -116.23 137.54 52.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -143.27 140.79 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.94 126.44 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.252 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.66 -16.02 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -64.38 -57.63 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 34.9 t -92.36 -29.6 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 4.29 78.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.57 160.19 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.81 147.68 27.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 110.307 -158.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -133.36 137.24 45.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 147.75 49.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -156.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.33 132.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.086 . . . . 0.0 109.384 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.4 p -116.25 126.06 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.53 122.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -174.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -57.3 132.37 52.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -142.14 47.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.8 t -152.84 134.16 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 22.4 m 51.99 79.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.974 -174.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.313 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 169.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.081 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.688 HD22 ' HB ' ' A' ' 440' ' ' VAL . 0.3 OUTLIER -148.82 78.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 170.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.36 153.12 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.43 1.082 . . . . 0.0 111.029 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 476' ' ' PHE . 14.9 pt -101.93 150.61 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.325 -167.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.33 99.05 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.69 -179.61 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.397 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 73.8 mtp -47.16 128.0 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 -165.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 91.9 25.69 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 64.72 34.82 90.91 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.7 p -114.93 139.62 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 26.0 ttt -76.4 128.71 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 85.1 m -111.61 115.6 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 162.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 20.2 m -71.95 68.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.437 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 52.0 tp -73.4 -27.1 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.76 136.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 174.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -108.84 166.21 10.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.45 116.94 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 54.66 60.13 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -170.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 63.0 m -51.64 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.535 ' C ' HG22 ' A' ' 418' ' ' ILE . 1.1 m -161.19 -32.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 110.351 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.535 HG22 ' C ' ' A' ' 417' ' ' THR . 14.9 tt 49.49 80.53 0.29 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 144.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 147.33 89.03 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.984 16.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 14.2 t -163.36 -175.44 4.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 152.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.85 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 177.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -130.74 160.08 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 165.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 65.5 p -141.04 142.41 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.058 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 61.38 -162.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 4.1 t 54.24 47.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -158.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.462 ' CE1' HD11 ' A' ' 438' ' ' ILE . 32.8 t80 -150.03 145.6 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 111.076 165.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.3 p -164.03 167.34 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 48.8 p -91.99 144.95 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.47 -61.01 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -89.51 139.05 30.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.342 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -68.36 -29.46 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.58 -41.2 94.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -86.11 77.27 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.3 m -84.03 44.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.023 -169.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -150.66 133.38 15.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -160.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 436' ' ' VAL . 16.9 m -80.61 90.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 175.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 437' ' ' THR . 11.3 t -84.6 105.14 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 162.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.566 HG21 HG11 ' A' ' 486' ' ' VAL . 2.7 mp -102.64 100.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 168.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -67.0 139.66 57.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 143.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.688 ' HB ' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -111.6 142.07 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 162.321 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.2 117.43 21.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -162.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.39 132.14 34.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 172.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 140.53 -155.78 24.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 451' ' ' ASN . 40.4 tt0 -155.73 90.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 0.782 . . . . 0.0 110.38 170.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -137.86 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.226 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -77.32 -50.94 11.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -86.65 137.06 32.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.12 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -167.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.56 -6.38 33.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 444' ' ' GLU . 4.1 t-20 -111.37 145.29 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -167.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -86.77 96.06 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -154.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 83.5 p -63.58 156.87 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.634 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -141.51 30.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 169.601 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.12 174.64 13.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -157.18 168.78 26.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.02 147.53 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 168.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.97 133.55 46.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.0 tm? -139.89 122.64 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' ASP . . . . . 0.422 ' N ' HD13 ' A' ' 459' ' ' LEU . 17.2 p-10 -100.38 120.0 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -166.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 153.34 52.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 tp -71.99 156.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 169.748 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 8.1 tp -78.23 144.88 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 148.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.41 105.57 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 171.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.78 118.14 52.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 26.6 m -101.93 145.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 401' ' ' ILE . 15.1 m-85 -131.61 89.12 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 170.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.08 121.56 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -166.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.17 125.75 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.97 168.43 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -167.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.81 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -17.62 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.81 9.71 57.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.73 137.49 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.411 HD23 HG11 ' A' ' 440' ' ' VAL . 18.5 tp -91.91 106.6 18.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 159.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -75.21 123.1 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 161.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 438' ' ' ILE . 57.5 t -118.25 138.62 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 172.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 43.7 p -153.24 154.97 35.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.63 139.13 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -123.85 113.67 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.01 107.04 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.59 -16.07 61.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.98 -55.71 17.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 21.7 t -102.92 -11.69 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -166.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 82.59 10.39 83.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -80.47 160.91 25.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 6.1 pt-20 -147.29 159.56 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 155.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.17 154.42 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -140.16 148.6 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -171.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.599 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -150.65 121.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -178.091 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.599 ' N ' HD13 ' A' ' 499' ' ' ILE . 20.5 p -105.12 125.36 50.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -130.59 142.84 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 178.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -100.43 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -153.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 50.89 45.66 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 58.1 m -149.26 156.65 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 11.7 t 54.67 53.21 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.078 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 41.5 m -53.52 132.94 40.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 109.96 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.727 HD11 HG13 ' A' ' 440' ' ' VAL . 9.2 tt -135.39 135.89 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -129.32 -179.53 16.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 162.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.26 156.03 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 0.0 109.334 171.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -79.06 102.64 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -173.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -101.23 179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 44.1 ttm -49.57 131.51 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.932 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 106.05 -14.76 44.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.73 7.33 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.8 p -133.5 133.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.245 -167.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 5.0 ptm -82.37 84.66 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -172.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 81.3 m -68.04 99.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 85.0 m -62.0 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 165.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.21 -38.86 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.03 151.34 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 172.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -88.1 162.17 16.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.4 -35.83 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -93.37 50.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -26.77 66.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 157.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 5.5 m 64.16 31.5 13.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.434 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 62.27 170.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 157.16 43.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.035 -2.486 . . . . 0.0 111.019 -73.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 2.3 t -169.23 131.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -101.42 119.74 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -114.92 164.71 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.643 166.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.26 157.52 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 424' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 426' ' ' PHE . 8.9 tp-100 59.37 -114.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.632 1.208 . . . . 0.0 110.269 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 94.5 t 44.06 -73.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -141.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 424' ' ' GLN . 35.9 p90 -109.61 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 57.8 p -145.36 -67.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.99 133.92 54.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -160.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -83.91 -22.41 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.593 1.183 . . . . 0.0 109.346 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.24 107.65 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -77.14 -24.04 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -170.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -78.85 -4.49 49.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -9.51 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p 68.22 16.6 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -152.33 171.01 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.72 139.72 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.1 p -127.34 95.83 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -166.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.8 mp -79.81 106.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -100.97 98.69 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.558 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.727 HG13 HD11 ' A' ' 399' ' ' LEU . 3.6 t -79.08 121.32 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 157.03 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 177.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.95 161.0 37.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.93 154.27 10.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.52 97.68 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.37 169.25 18.66 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.603 1.19 . . . . 0.0 110.333 174.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -92.14 -57.02 2.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.087 . . . . 0.0 109.278 168.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -90.65 142.27 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.233 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.24 79.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -167.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.54 -7.66 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -164.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.68 14.83 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -111.59 160.25 17.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -72.78 130.15 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.378 -168.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 71.2 p -79.62 158.25 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -164.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.58 ' HB3' HG12 ' A' ' 440' ' ' VAL . 0.9 OUTLIER -159.13 57.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -177.488 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 66.8 177.71 8.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 169.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.62 161.43 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.278 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.41 141.03 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -123.39 158.86 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -171.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 497' ' ' GLN . 3.1 tm? -147.46 121.87 9.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -113.11 90.15 3.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -167.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -162.29 36.09 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.31 141.92 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.686 HE21 ' N ' ' A' ' 471' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.68 130.7 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 -157.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.03 124.93 44.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 163.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -107.67 119.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.097 . . . . 0.0 109.342 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -83.31 143.15 30.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.364 -172.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 426' ' ' PHE . 48.7 m-85 -140.47 90.87 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 167.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -132.85 122.23 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -152.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.5 mm -86.05 118.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -78.23 168.15 20.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.26 -17.47 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.24 11.43 56.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 483' ' ' ILE . 1.7 mp -86.5 140.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 109.345 170.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 1.1 pp -88.28 105.63 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -87.04 131.18 34.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.2 t -119.21 144.48 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.2 t -156.41 168.27 27.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.069 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.58 21.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 125.96 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.3 124.46 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -73.81 -19.41 60.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -52.02 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.3 t -88.84 -26.75 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -171.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 11.27 67.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -77.24 151.85 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -146.69 133.35 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.227 149.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' GLN . . . . . 0.404 ' HB2' HD23 ' A' ' 459' ' ' LEU . 84.2 mt-30 -136.61 161.11 36.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 164.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -149.06 150.61 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 -155.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.65 138.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -175.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.9 p -116.84 125.98 52.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.08 134.2 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -178.582 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -88.9 155.53 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -95.86 61.23 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 42.0 p -169.18 168.03 10.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 8.3 t 67.02 99.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.057 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 111.017 171.639 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 35.4 m -56.18 135.01 53.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 399' ' ' LEU . 3.2 tm? -111.53 123.5 50.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 400' ' ' GLY . . . . . 0.412 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -146.5 176.68 25.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.927 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.79 163.44 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.346 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -79.09 89.17 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 22.9 p -79.39 164.65 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 51.5 ttm -51.03 119.2 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.33 -25.28 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -169.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.95 9.02 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.08 134.51 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.48 99.02 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 99.2 m -85.8 101.16 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 93.7 m -65.31 96.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 161.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -16.62 46.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.5 tt -150.76 134.19 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -166.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -96.35 164.07 12.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.96 -34.81 70.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -120.4 61.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 417' ' ' THR . 65.0 m -73.78 62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 170.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 416' ' ' THR . 70.0 p 37.84 68.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.77 165.76 49.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -165.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 96.5 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 -26.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 12.9 t -164.0 175.55 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.432 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -127.12 128.75 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -103.69 91.72 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 162.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 11.3 p -71.69 130.34 40.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 168.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -160.0 133.14 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 110.272 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 5.8 m -89.13 148.62 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.205 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.59 136.1 38.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 71.9 m -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.433 HG22 ' HB ' ' A' ' 436' ' ' VAL . 22.1 p -79.46 99.91 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.375 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.63 64.34 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -167.57 69.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 110.263 -172.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.03 -29.14 68.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -168.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.54 -33.76 76.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -102.59 126.42 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 99.4 p -78.43 64.0 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.948 167.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.88 174.53 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -166.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.433 ' HB ' HG22 ' A' ' 428' ' ' THR . 0.8 OUTLIER -129.35 121.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.458 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.9 m -104.51 114.5 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 438' ' ' ILE . 1.8 mp -79.35 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.45 98.91 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.79 HG21 HD13 ' A' ' 501' ' ' ILE . 5.4 t -72.53 141.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -175.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.68 141.79 51.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 159.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.73 135.9 52.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.03 -148.2 12.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -147.11 39.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.323 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -120.34 147.41 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -77.24 -41.98 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -80.75 142.92 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -17.9 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 0.0 109.337 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.39 60.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -109.98 -2.96 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.26 144.68 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -167.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -92.91 122.45 35.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -154.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 20.7 p -82.95 142.07 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.997 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.19 -14.18 19.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 121.22 -156.28 16.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -168.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.14 160.82 42.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -168.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.02 136.29 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.26 160.22 23.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -165.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -152.72 121.51 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -105.61 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -165.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.58 19.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 463' ' ' ASN . 3.5 tt -71.82 167.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 462' ' ' ILE . 12.7 m120 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 474' ' ' VAL . 31.3 mm -106.88 91.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.54 72.56 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 176.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.469 HG23 HG22 ' A' ' 472' ' ' ILE . 73.8 t -82.44 91.52 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 158.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 12.4 m -90.18 143.81 26.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 -159.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -108.06 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 164.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.2 120.67 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -165.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.8 tt -100.69 128.25 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.49 175.25 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.196 . . . . 0.0 109.292 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.11 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.26 -17.6 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.32 53.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.22 137.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 0.0 109.305 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.61 103.11 11.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 171.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.12 98.83 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 168.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.67 111.16 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.0 p -98.96 166.15 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.933 -172.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -138.91 98.74 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 152.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -106.08 103.35 12.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.6 124.15 39.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -172.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -64.84 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -67.32 -47.47 70.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 5.9 t -90.31 -30.75 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.014 -172.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.15 5.95 79.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -80.79 158.96 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.81 106.8 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 150.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -115.57 142.77 46.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 110.321 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 155.45 45.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -162.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.41 HD12 HG13 ' A' ' 501' ' ' ILE . 0.2 OUTLIER -132.78 131.78 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 176.256 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.99 121.87 39.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.79 HD13 HG21 ' A' ' 440' ' ' VAL . 4.8 mt -134.93 114.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -167.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -77.57 137.43 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -171.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -88.11 59.73 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 35.0 p -163.64 57.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 32.5 t -168.67 55.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.026 -174.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -175.699 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 39.3 m -63.86 109.37 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 441' ' ' LEU . 48.8 tp -88.01 132.78 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.41 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 167.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 5.2 pt -133.13 162.67 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.306 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -78.42 110.5 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 164.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 21.3 p -99.82 151.56 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.25 124.68 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 -157.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 133.39 -20.34 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.094 -167.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.36 29.32 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.48 137.71 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -169.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.8 tpp -68.13 123.48 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.0 m -111.2 110.61 21.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 164.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 87.1 m -66.87 87.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 170.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -49.06 -52.96 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 11.0 pt -147.44 160.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -87.44 166.98 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -167.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -34.25 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -120.82 61.17 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 417' ' ' THR . 32.3 m -74.97 63.07 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.187 . . . . 0.0 110.363 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 416' ' ' THR . 14.7 p 34.66 75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.422 168.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.52 HG22 HG21 ' A' ' 478' ' ' ILE . 9.2 pt -74.49 168.58 25.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -164.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.08 32.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.945 -31.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.447 HG21 HG22 ' A' ' 416' ' ' THR . 10.9 t -164.26 178.09 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 -178.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.8 127.89 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.324 -172.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.39 165.32 20.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.681 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 5.4 m -143.65 -62.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 69.12 158.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.311 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.55 128.02 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 158.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -151.68 121.77 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 111.062 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.7 m -72.96 141.27 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -163.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 22.8 p -82.55 94.8 7.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.46 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.22 68.09 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -158.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.8 84.61 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.7 t70 53.42 -94.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -121.25 -1.68 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -165.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -105.04 157.54 17.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.239 -158.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 69.7 m -76.3 66.45 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -157.07 167.41 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -170.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.8 p -126.47 132.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 5.9 t -114.36 122.8 47.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.384 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 438' ' ' ILE . 2.2 mp -108.04 106.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 170.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -97.74 102.58 14.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 165.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.85 120.07 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -133.19 155.15 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 175.195 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.24 144.96 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 168.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 134.57 -83.29 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -167.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.3 -28.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -60.36 -153.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 153.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -55.73 148.82 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -168.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.06 61.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.45 -10.71 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 -166.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -113.32 11.76 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -111.65 134.55 53.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -171.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -79.68 115.86 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -155.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 94.3 p -70.98 157.06 38.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.073 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -156.39 35.9 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.43 164.43 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.7 161.1 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.57 138.91 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -133.53 157.66 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 18.3 tp -126.79 115.84 19.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -99.2 145.87 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.56 44.47 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.406 HD13 HD13 ' A' ' 472' ' ' ILE . 3.3 mt -106.24 101.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 109.252 177.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 -176.03 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 472' ' ' ILE . 11.4 tp -131.89 155.92 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -155.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -140.2 125.66 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.278 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 13.8 t -116.41 115.49 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.26 144.17 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -172.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -130.71 89.29 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 161.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -127.69 124.13 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -161.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.52 HG21 HG22 ' A' ' 418' ' ' ILE . 3.1 mm -81.62 126.52 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.16 169.35 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.38 -31.56 72.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -171.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.54 -17.59 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.55 22.22 27.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.12 134.62 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 101.68 11.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -73.93 122.84 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.623 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 78.1 t -120.23 134.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 94.7 p -153.47 152.76 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.76 50.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 168.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 125.89 14.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.25 125.83 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -75.02 -28.09 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -81.95 -46.11 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.268 -172.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.4 t -91.43 -34.45 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -172.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.31 7.07 77.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -80.87 140.6 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.22 157.24 38.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.277 -169.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.65 144.31 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 172.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -110.14 160.03 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -175.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -149.59 125.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 168.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.577 ' N ' HD13 ' A' ' 499' ' ' ILE . 0.8 OUTLIER -114.68 127.15 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -177.747 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.02 125.29 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 -175.292 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -64.76 138.13 58.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -83.95 96.02 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.1 t -76.9 -168.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 -165.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 78.1 p -142.49 35.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -177.866 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 42.3 m -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 440' ' ' VAL . 4.8 tp -79.69 107.78 12.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 156.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.78 145.65 17.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 165.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.4 HD13 ' CE2' ' A' ' 476' ' ' PHE . 0.1 OUTLIER -109.98 156.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -174.781 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.35 104.9 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.2 OUTLIER -121.22 -173.7 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 -173.516 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 404' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 403' ' ' THR . 5.6 ttm -35.63 122.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 95.17 2.54 62.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 70.71 31.51 67.6 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.43 141.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.267 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.98 68.32 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -174.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.4 m -53.06 109.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 82.8 m -67.1 84.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 426' ' ' PHE . 10.5 tt -67.82 -55.03 14.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.91 132.43 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.48 163.02 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -170.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -59.3 109.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.21 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.9 t30 59.06 60.37 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.391 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.459 HG21 HG21 ' A' ' 420' ' ' THR . 37.8 m -49.53 -72.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 418' ' ' ILE . 83.6 m -155.87 -40.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 419' ' ' PRO . 18.8 pt 42.75 79.08 0.35 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 166.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 159.0 98.65 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.085 15.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.459 HG21 HG21 ' A' ' 416' ' ' THR . 0.7 OUTLIER -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 157.377 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -144.57 135.31 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -150.92 138.78 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.613 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 94.0 p -141.01 164.19 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' GLN . . . . . 0.526 ' N ' HG22 ' A' ' 425' ' ' VAL . 0.0 OUTLIER 76.73 -51.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 178.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 425' ' ' VAL . . . . . 0.526 HG22 ' N ' ' A' ' 424' ' ' GLN . 4.8 m 35.06 -115.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 150.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.451 ' H ' HG23 ' A' ' 425' ' ' VAL . 11.7 m-85 -94.05 165.92 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 4.6 m -159.5 -68.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 169.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 36.3 p -142.46 156.02 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.432 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.05 -63.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.7 165.37 17.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.82 -22.23 64.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.203 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.38 -27.96 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.53 83.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 53.2 m -88.13 -3.85 58.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 152.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -140.44 -178.16 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.99 136.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 154.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 71.6 p -133.67 78.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.358 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.92 114.74 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -99.98 108.11 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 169.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 399' ' ' LEU . 52.7 t -71.74 122.95 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 159.74 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -132.65 149.38 52.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.87 -163.38 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -160.09 82.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.294 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 447' ' ' ARG . 0.8 OUTLIER -156.74 40.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 68.75 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 167.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 445' ' ' ARG . 1.8 mtt85 -73.9 150.91 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -171.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.55 -25.16 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.3 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.83 26.84 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.8 150.33 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 -175.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -81.75 118.29 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -159.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 17.4 p -67.4 148.03 52.12 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.442 ' HG ' HG12 ' A' ' 440' ' ' VAL . 0.7 OUTLIER -148.87 46.11 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 109.361 164.043 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 104.67 -179.95 24.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -156.43 169.49 24.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -173.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 155.24 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 166.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -137.27 154.42 50.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 4.3 tt -154.62 127.11 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 109.335 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -114.78 158.78 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -154.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.0 41.29 4.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.4 tt -101.85 158.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.2 tp -149.75 120.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.45 92.42 4.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -172.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 19.8 t -91.99 147.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 164.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -128.13 143.59 51.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' A' ' 486' ' ' VAL . 94.3 m-85 -137.97 89.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.951 161.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -122.97 123.62 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.508 HG12 HD22 ' A' ' 484' ' ' LEU . 0.3 OUTLIER -98.4 126.76 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -171.034 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -81.02 166.72 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.5 70.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.32 -17.71 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.13 22.64 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -95.86 136.43 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.585 HD12 HG23 ' A' ' 486' ' ' VAL . 0.0 OUTLIER -82.98 110.25 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 161.576 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.32 115.51 22.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.588 164.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.585 HG23 HD12 ' A' ' 484' ' ' LEU . 71.3 t -114.3 143.56 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 171.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.1 p -158.62 157.78 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.025 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.55 149.61 49.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -154.16 127.65 8.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.13 124.65 34.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -65.64 -32.39 73.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.24 -54.05 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 12.1 t -83.04 -18.66 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.028 -167.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 83.68 11.01 80.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 171.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.52 154.09 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.19 129.76 12.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 167.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -146.93 139.45 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -142.02 149.25 39.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -162.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.568 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.26 119.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -169.003 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.568 ' N ' HD13 ' A' ' 499' ' ' ILE . 9.3 p -101.9 129.75 48.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -131.3 114.79 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 178.227 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -64.07 156.17 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -53.0 128.97 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 163.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 46.9 t -139.6 163.66 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 -159.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 89.6 p -119.25 17.05 13.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -168.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 5.9 t 62.38 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.9 82.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 162.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -91.72 179.59 41.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.663 HD13 ' CZ ' ' A' ' 476' ' ' PHE . 1.5 pt -115.67 144.37 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -177.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -78.84 78.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 37.0 p -93.61 174.31 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -50.1 128.87 19.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 111.01 -166.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 115.83 -22.36 11.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -167.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 73.89 43.91 32.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.51 137.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 -169.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.1 73.98 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 83.7 m -60.6 115.25 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.1 m -68.36 89.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 411' ' ' LEU . 1.0 OUTLIER -57.44 -55.13 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 175.733 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.5 pt -144.36 167.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -94.44 167.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 -155.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -67.14 124.4 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 35.0 m120 48.22 61.68 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -165.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 5.9 m -39.7 -60.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 110.364 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.482 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 170.23 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.422 -171.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 417' ' ' THR . 0.8 OUTLIER 60.74 165.97 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.04 122.41 7.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.958 -50.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 6.8 t -148.78 143.55 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -156.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -110.65 129.07 55.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.41 159.33 27.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 160.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 15.6 m -161.04 -63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -78.28 85.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -169.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.67 -59.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 401' ' ' ILE . 32.4 p90 -127.37 168.18 15.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -149.41 -167.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 68.4 p -90.93 167.61 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.47 -59.11 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -172.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -88.99 103.74 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -71.79 -29.79 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -169.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.9 -42.76 90.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -166.97 117.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 p -153.0 176.48 11.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -176.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -136.07 137.64 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 436' ' ' VAL . 34.2 m -83.54 81.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -78.61 81.72 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.414 HG21 HG11 ' A' ' 486' ' ' VAL . 1.1 mp -79.56 131.1 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.93 151.64 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.567 135.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.77 126.98 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 166.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.25 139.87 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -166.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.78 155.82 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 177.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 148.38 -152.04 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -142.57 39.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -127.69 158.99 36.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.26 -54.53 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.379 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -87.38 151.37 23.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.25 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.99 -24.81 55.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -165.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.45 -8.47 57.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -170.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -104.49 4.79 33.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.61 152.63 35.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -162.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -88.15 103.83 16.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -165.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 33.6 p -68.21 148.39 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.49 32.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 171.78 95.8 0.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.0 137.93 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 110.292 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.91 122.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.7 159.01 21.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.55 118.78 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -97.75 156.45 16.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.12 41.8 3.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.08 136.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.575 0.809 . . . . 0.0 109.288 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 176.719 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 472' ' ' ILE . 0.1 OUTLIER -122.57 107.49 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 167.19 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.465 ' N ' HD13 ' A' ' 472' ' ' ILE . 0.0 OUTLIER -165.45 159.99 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -177.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 22.2 t -105.73 125.75 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 167.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.16 141.78 34.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 401' ' ' ILE . 57.5 m-85 -133.43 93.37 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.41 121.32 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -163.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.2 mm -87.24 118.85 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -79.35 166.61 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.17 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.17 -0.01 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.06 22.29 23.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 166.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -89.47 122.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.29 99.36 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -85.15 103.59 14.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 109.632 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 476' ' ' PHE . 93.9 t -102.66 125.25 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.9 p -151.83 158.79 43.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -136.42 129.72 31.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -118.3 108.85 15.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -96.43 125.98 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -77.1 -16.84 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 167.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.26 -57.46 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -172.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.1 t -104.78 -3.71 23.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.52 -5.3 84.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 170.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -74.72 160.46 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 -167.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.68 110.93 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -138.54 155.86 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.11 162.4 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -162.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.34 133.94 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 174.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.3 p -121.01 122.74 40.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 110.388 -173.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.22 127.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -177.604 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -56.74 130.24 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.36 28.37 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 29.3 t -64.89 -52.23 57.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.948 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.0 t 63.52 92.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 152.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.412 1.07 . . . . 0.0 110.955 165.819 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.5 m -73.65 109.56 7.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.512 HD13 ' C ' ' A' ' 399' ' ' LEU . 3.3 tm? -78.76 108.41 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 167.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -120.18 169.47 13.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.654 HD11 ' CE1' ' A' ' 426' ' ' PHE . 29.6 pt -130.59 147.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 0.0 109.288 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.79 112.28 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.45 168.71 13.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 32.3 ttm -47.71 130.81 14.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -166.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 110.45 -20.68 25.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.047 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 77.29 50.64 6.58 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.12 138.88 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 408' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 409' ' ' THR . 0.0 OUTLIER -80.99 64.36 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -173.604 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 408' ' ' MET . 2.3 m -40.34 132.05 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -169.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 50.0 m -65.96 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 411' ' ' LEU . 4.2 tt -58.5 -62.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.0 142.73 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 416' ' ' THR . . . -95.68 162.49 13.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -61.13 112.52 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.3 m120 58.0 60.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -173.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 413' ' ' ALA . 42.4 m -53.51 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.38 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.3 t -166.2 -45.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.42 143.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.459 HG23 ' HA ' ' A' ' 419' ' ' PRO . 2.9 mt 69.64 134.28 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 169.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.459 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.3 Cg_endo -74.99 153.88 99.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.957 -2.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -166.4 170.38 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -142.6 139.81 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -118.28 164.56 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.556 159.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.9 p -173.95 -51.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -169.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -36.83 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 -174.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.6 59.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.654 ' CE1' HD11 ' A' ' 401' ' ' ILE . 10.5 m-85 -168.87 166.34 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 81.2 p -158.77 144.47 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.963 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.663 HG22 HG21 ' A' ' 436' ' ' VAL . 41.9 p -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 175.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -105.52 118.28 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -152.93 112.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.357 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.09 -17.99 60.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -54.7 -50.49 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.33 167.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -170.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.0 m -78.04 61.51 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.63 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.663 HG21 HG22 ' A' ' 428' ' ' THR . 7.8 p -78.23 112.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -168.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 30.9 m -117.31 99.83 7.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.89 117.24 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.18 114.63 26.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.587 160.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.87 128.73 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.239 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.67 149.69 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.79 140.28 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 173.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 163.2 -150.89 20.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.96 38.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.249 151.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -97.59 128.29 44.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -41.07 55.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -154.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.96 136.57 40.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.3 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.04 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.33 60.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -105.98 -1.17 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -111.45 146.53 37.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -80.46 100.61 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 -162.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 35.5 p -68.52 154.62 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 170.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -149.6 30.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 140.51 177.07 15.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.02 171.08 19.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.252 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.76 159.83 40.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 167.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -132.37 153.57 50.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -173.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -138.55 111.02 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 163.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -84.64 149.27 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.07 1.05 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.84 154.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 47.6 t30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 172.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 6.8 mm -96.48 141.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -130.15 167.98 17.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.25 149.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 t -127.72 113.19 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 164.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.97 141.62 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.44 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 64.8 m-85 -131.16 88.6 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.07 125.06 49.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -166.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.9 tt -106.07 133.0 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -99.54 -179.09 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.18 71.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -172.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.12 -16.47 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.73 22.26 43.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.35 127.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 484' ' ' LEU . 0.0 OUTLIER -76.51 107.69 8.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 167.207 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -87.57 91.29 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.61 168.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 71.8 t -101.25 123.51 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.9 p -151.65 136.21 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 -165.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -108.89 124.99 51.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -114.76 129.76 56.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -162.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.96 103.67 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 159.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.11 -26.56 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -160.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -82.64 -41.38 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.8 t -87.79 -30.52 20.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -169.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.19 74.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.72 160.02 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.261 171.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -164.5 166.41 20.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -130.7 154.1 48.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 152.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.62 146.56 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -162.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.631 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -142.78 122.94 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 178.426 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.631 ' N ' HD13 ' A' ' 499' ' ' ILE . 42.8 p -102.3 129.59 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -134.74 120.63 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 178.495 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -70.16 110.29 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.332 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -109.26 27.67 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.235 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 21.7 m -65.6 -48.29 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 p -167.43 156.08 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 178.013 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 29.3 m -65.83 167.96 8.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 400' ' ' GLY . 1.2 tm? -133.3 116.44 16.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 400' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -128.25 168.73 20.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 176.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.5 pt -116.36 161.72 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -79.18 125.25 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 19.4 p -129.74 176.82 7.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.458 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 8.5 mtt -41.76 134.18 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 102.78 -4.91 50.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.423 1.077 . . . . 0.0 110.961 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 62.09 44.93 97.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.4 p -127.36 139.92 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -165.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.93 125.04 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 177.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.1 m -110.36 103.95 12.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.387 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 46.5 m -64.06 87.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.72 -32.26 21.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.68 139.96 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -111.63 167.06 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 178.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.57 99.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.3 t30 59.77 61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 1.9 m -30.95 -61.28 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 156.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.458 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 173.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 179.443 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 417' ' ' THR . 1.2 pt 57.4 168.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.47 3.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.007 -34.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.9 t -132.85 142.34 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -147.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -143.1 122.49 13.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -162.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -168.06 161.37 12.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.0 p -78.94 -48.51 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 61.49 28.53 17.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -165.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 23.5 t 58.83 77.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 60.2 m-85 -134.81 43.46 2.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 161.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 31.8 t -56.11 -64.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.8 p -140.99 127.0 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 159.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.92 46.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -129.58 102.71 6.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 110.288 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -74.07 -5.74 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.47 -47.94 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -173.74 179.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -173.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 26.0 p -68.7 67.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 166.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.96 178.87 8.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.371 -167.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.8 p -132.69 90.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 165.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 64.4 p -101.92 102.01 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.4 mp -79.72 103.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -78.91 119.27 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 150.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.434 HG13 HD21 ' A' ' 399' ' ' LEU . 1.2 t -86.51 124.93 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.71 146.02 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -165.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.41 144.3 46.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 170.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -126.1 2.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -173.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -152.1 64.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 -168.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 71.01 -175.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 159.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 72.2 -172.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.368 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -49.28 132.82 19.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.84 80.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -161.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.59 56.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -169.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.12 -1.92 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.13 159.87 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.55 160.0 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 109.294 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 78.4 p -136.47 160.73 37.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.04 36.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.82 178.48 15.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -158.81 162.91 37.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.54 145.28 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.061 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -135.62 143.77 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 66.3 tp -116.08 92.99 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 155.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -95.55 160.97 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -168.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 84.82 42.23 7.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.4 tt -97.17 158.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.271 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 25.1 m120 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 169.746 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.1 mm -124.55 134.91 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.246 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -108.82 126.63 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 166.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 66.5 t -121.5 120.57 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 164.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.7 m -116.12 128.65 55.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 486' ' ' VAL . 20.1 m-30 -111.77 89.16 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 173.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.6 123.37 44.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -155.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.94 116.31 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -81.85 178.28 8.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.92 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.09 -17.46 62.58 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.71 2.78 61.24 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.07 139.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.421 HD13 HD12 ' A' ' 399' ' ' LEU . 0.5 OUTLIER -79.48 96.6 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 169.086 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -84.17 90.03 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 476' ' ' PHE . 6.2 t -88.78 122.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -174.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 55.1 p -136.99 139.57 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -171.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.76 136.62 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -142.57 131.35 22.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -155.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.28 126.1 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 170.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -70.21 -32.42 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -161.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -85.18 -57.69 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 7.8 t -87.52 -18.2 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -173.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.83 64.61 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 164.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -81.12 150.59 28.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 0.82 . . . . 0.0 109.283 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.95 166.97 31.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -169.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -145.62 140.91 27.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 156.11 30.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -155.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.621 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -143.56 121.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 168.403 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.621 ' N ' HD13 ' A' ' 499' ' ' ILE . 5.2 p -99.59 127.56 45.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -135.19 124.17 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 177.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -76.62 -26.39 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 56.04 61.47 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 64.6 m -83.77 157.35 22.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 99.1 p -81.4 170.82 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.591 1.182 . . . . 0.0 111.038 174.264 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 54.9 m -52.96 142.25 20.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -167.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 440' ' ' VAL . 10.2 mt -93.04 126.07 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 158.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -114.96 -179.85 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 157.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.403 HG22 ' CG1' ' A' ' 440' ' ' VAL . 0.4 OUTLIER -124.93 156.97 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.24 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -84.49 93.84 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 3.8 p -78.65 142.53 37.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.22 134.4 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -161.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 124.93 -17.87 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -162.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 81.06 27.03 51.3 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.9 138.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.96 130.9 35.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 60.5 m -113.98 107.09 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 166.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 17.7 m -65.56 76.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.382 162.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -41.81 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.34 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.01 163.81 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.74 -21.96 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -97.85 60.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.657 HG21 HG21 ' A' ' 420' ' ' THR . 0.2 OUTLIER -80.18 -91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 159.404 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 t -174.13 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.438 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.475 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 7.7 mt 67.82 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 158.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.06 172.99 60.24 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.919 18.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.657 HG21 HG21 ' A' ' 416' ' ' THR . 3.4 t -160.15 172.51 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 162.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -145.81 143.87 29.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 168.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -133.19 169.79 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 155.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 18.2 p -156.69 138.56 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.941 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -166.57 133.92 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 42.6 t -88.66 119.49 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 171.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -116.7 38.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 178.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -161.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -122.06 114.93 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.65 87.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -157.69 113.33 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.41 -26.41 64.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -71.48 -17.13 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 53.5 65.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -170.64 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.91 2.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.6 p -131.04 123.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.207 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 99.6 m -110.48 106.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 175.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.459 HG21 HG11 ' A' ' 486' ' ' VAL . 1.0 OUTLIER -80.79 153.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -150.95 122.67 8.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.794 ' HB ' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -108.64 139.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -178.204 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.27 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -78.52 105.83 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.21 -173.45 42.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.027 -164.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -148.52 93.23 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 75.84 -175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 161.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.5 tttt 74.2 -158.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -170.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -74.74 142.12 44.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.53 80.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.03 -9.62 58.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 -169.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.95 -4.87 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -118.06 153.1 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.83 119.63 25.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -156.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 34.4 p -61.01 148.53 39.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -174.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.519 ' O ' HD13 ' A' ' 454' ' ' LEU . 2.4 tm? -163.44 66.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -174.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 96.33 144.53 17.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 153.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.04 156.37 42.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 0.807 . . . . 0.0 110.286 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.58 147.74 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.12 149.01 44.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.57 139.13 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 166.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.78 124.38 40.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 158.9 49.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 167.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 31.4 mm -102.64 153.73 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 21.1 mm -125.68 153.1 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -135.02 137.61 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 153.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.48 122.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.44 142.3 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -167.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.32 93.2 3.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.957 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -123.57 121.25 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.235 -165.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.623 HG22 HG22 ' A' ' 420' ' ' THR . 0.2 OUTLIER -97.26 126.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -172.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.58 175.26 10.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.02 79.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.3 -20.79 60.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.48 24.06 17.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.1 139.61 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 157.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.07 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 167.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -73.99 110.45 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.597 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 438' ' ' ILE . 63.9 t -104.6 132.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 172.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 87.8 p -147.42 150.27 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.18 54.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 170.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -133.23 117.79 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -95.45 118.8 32.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -170.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -74.45 -24.7 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -76.77 -53.95 7.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 10.2 t -88.06 -24.86 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -168.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 85.3 8.29 81.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.42 157.67 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 496' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 4.5 pt-20 -148.28 151.71 35.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 161.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -166.3 142.9 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -135.82 156.99 47.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -158.614 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.618 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -147.1 123.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -174.463 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.618 ' N ' HD13 ' A' ' 499' ' ' ILE . 13.4 p -102.2 127.26 49.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.438 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -136.56 139.14 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 176.148 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -68.86 140.53 55.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -122.74 18.19 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 161.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 65.0 p -99.63 -72.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 151.01 39.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -170.515 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 2.5 m 62.73 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.95 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 442' ' ' GLN . 0.6 OUTLIER -154.73 101.15 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 165.013 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -110.76 -177.21 20.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.406 HD11 ' CZ ' ' A' ' 426' ' ' PHE . 13.6 pt -130.94 165.31 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 166.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -78.74 90.92 4.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.299 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 32.7 p -82.66 168.67 17.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.8 ttm -48.62 126.23 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.445 1.091 . . . . 0.0 110.958 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 121.31 -27.23 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -170.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 89.41 32.38 10.47 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.58 134.17 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.331 -163.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 39.3 ttp -74.12 92.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.059 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 49.4 m -83.31 106.59 15.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 25.1 m -74.55 96.36 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 167.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.26 -43.51 94.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 173.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.8 pt -143.93 134.19 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -89.25 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.82 149.21 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.7 t30 56.14 44.31 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 -161.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 20.6 m -39.77 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 162.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 8.1 t -175.54 43.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 162.17 39.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 -140.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.968 -20.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.4 t -156.12 172.5 18.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -149.12 91.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -160.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -89.22 84.06 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.554 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 95.3 p -88.0 149.63 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 110.063 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 56.5 51.26 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.296 172.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.13 -55.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' A' ' 401' ' ' ILE . 59.7 t80 -89.58 151.33 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 427' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 428' ' ' THR . 37.9 t -142.74 -162.86 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.407 ' N ' ' OG ' ' A' ' 427' ' ' SER . 0.7 OUTLIER -78.12 74.65 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.366 -178.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.9 70.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.16 133.83 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -26.09 63.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -156.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.14 -32.57 74.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 48.67 41.49 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 72.2 m -125.12 -56.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -125.85 131.72 52.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.53 134.86 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.07 99.04 4.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 110.401 -169.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.449 HG21 HG11 ' A' ' 486' ' ' VAL . 2.5 mp -92.22 94.34 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -70.75 105.26 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 162.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.77 123.5 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -166.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 453' ' ' SER . 0.0 OUTLIER -167.83 173.28 8.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -175.524 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.472 ' HB3' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -150.97 160.09 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.332 -154.685 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -145.36 14.16 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -152.11 43.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 110.29 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -137.25 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 170.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.48 -53.25 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -166.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -87.18 136.6 32.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -162.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.09 81.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.27 9.78 24.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.87 45.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 167.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.83 167.69 24.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 162.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 99.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 -167.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 441' ' ' LEU . 74.5 p -52.95 146.82 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.951 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.51 32.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -171.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 85.84 -156.31 29.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -173.95 142.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -170.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.67 142.85 33.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -136.94 162.61 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 38.2 tp -151.63 139.39 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.12 104.45 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 175.38 52.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.8 mp -122.46 137.98 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 0.803 . . . . 0.0 109.249 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.366 -179.083 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -143.7 121.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -165.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -118.02 100.03 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.67 100.21 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.27 137.39 50.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.93 89.84 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 155.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.77 117.87 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -156.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.4 tt -111.65 128.68 68.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -167.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -94.6 167.32 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.62 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.61 -18.2 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.79 22.42 25.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.62 139.98 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 tp -89.74 117.07 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 166.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -80.11 121.9 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.583 160.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.449 HG11 HG21 ' A' ' 438' ' ' ILE . 59.1 t -115.08 114.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 72.6 p -140.87 113.27 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -159.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -91.67 103.94 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -92.46 100.81 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -74.81 104.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -168.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.18 -44.15 16.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.246 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 24.3 t -80.34 -26.01 38.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.23 70.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.02 155.99 27.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 0.0 109.257 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.16 126.58 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 158.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -134.37 150.46 50.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.23 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 111.55 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -160.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.638 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -100.6 123.26 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 177.528 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.638 ' N ' HD13 ' A' ' 499' ' ' ILE . 25.6 p -101.66 127.74 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.69 118.84 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 178.637 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -52.48 147.39 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.72 95.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.98 -173.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 168.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 m -121.12 -58.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 174.517 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 17.9 m -52.76 102.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' A' ' 440' ' ' VAL . 26.1 tp -96.28 115.97 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -116.25 176.33 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.634 HG21 ' CE1' ' A' ' 476' ' ' PHE . 22.2 pt -118.8 144.13 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.263 -176.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.84 112.56 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 403' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.8 OUTLIER -133.99 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.378 -167.461 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 404' ' ' MET . . . . . 0.523 ' C ' ' O ' ' A' ' 403' ' ' THR . 7.8 tpt 1.1 90.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -150.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 99.89 -63.86 0.65 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 166.09 58.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.71 136.52 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 166.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 11.9 ttt -75.45 89.65 2.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -73.4 87.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 110.369 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 61.6 m -61.57 87.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 156.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 411' ' ' LEU . 9.6 tt -110.62 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 170.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 412' ' ' ILE . 0.1 OUTLIER -79.86 65.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 177.186 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.9 169.94 10.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -69.33 -23.75 63.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -103.09 29.6 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -173.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.466 HG22 HG21 ' A' ' 420' ' ' THR . 60.4 m -79.53 60.31 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 175.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 9.4 m 45.29 42.39 7.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.172 . . . . 0.0 110.408 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 419' ' ' PRO . 0.0 OUTLIER -42.74 142.38 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 174.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.05 157.84 99.32 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.941 -13.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.466 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -158.31 160.49 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 167.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.87 87.29 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -161.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.57 161.77 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -167.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.4 m -130.2 -67.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 161.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 43.74 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 10.9 p -46.45 125.56 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -166.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' A' ' 401' ' ' ILE . 17.9 m-85 -87.67 157.52 19.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 68.5 m -66.83 116.18 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.939 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.6 p -78.84 88.28 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.07 78.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -138.32 114.03 9.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.28 -26.29 62.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -165.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -69.44 -18.9 63.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 52.44 67.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 29.5 t -159.5 -52.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 -162.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -129.95 176.97 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.29 136.48 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 70.9 p -125.11 120.68 32.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.408 1.067 . . . . 0.0 110.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.57 HG21 HG11 ' A' ' 486' ' ' VAL . 1.2 mp -113.33 125.54 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 174.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 149.25 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 140.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.604 ' CG1' HG22 ' A' ' 401' ' ' ILE . 0.0 OUTLIER -115.07 135.61 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 162.002 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 146.81 48.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -165.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -128.71 155.17 45.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 155.29 -95.94 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 111.08 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -159.13 44.67 0.26 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 110.34 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 446' ' ' LYS . 6.1 ttt180 63.11 -165.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 172.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 445' ' ' ARG . 3.2 ttpt 82.3 -161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -59.77 139.01 57.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.08 75.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -167.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.13 -6.3 58.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.03 164.3 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -173.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -69.54 121.02 16.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 5.0 p -94.03 141.47 28.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.022 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.67 56.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -168.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.17 113.26 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -109.24 142.05 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.47 162.74 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.73 164.97 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 48.5 tp -148.42 136.65 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 167.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -96.8 151.17 19.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 109.37 44.53 1.07 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.069 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -78.24 168.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 0.725 . . . . 0.0 109.254 172.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -169.846 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 5.6 tp -158.03 135.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -137.28 146.35 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.24 108.72 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 159.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 137.85 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 476' ' ' PHE . . . . . 0.634 ' CE1' HG21 ' A' ' 401' ' ' ILE . 61.0 m-85 -140.45 98.46 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.985 168.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.97 122.97 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -148.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 484' ' ' LEU . 1.1 tp -115.7 119.01 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -177.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -94.71 174.58 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.64 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.52 -18.07 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 92.29 12.61 58.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 172.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.58 139.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.556 0.797 . . . . 0.0 109.32 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -81.09 108.76 15.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 168.232 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -82.96 109.84 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 161.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.57 HG11 HG21 ' A' ' 438' ' ' ILE . 92.3 t -111.99 141.65 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.262 170.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 82.6 p -162.34 167.75 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.431 1.082 . . . . 0.0 109.905 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.24 142.69 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 168.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.64 116.09 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -86.33 114.09 22.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -77.98 -27.75 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 -171.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -70.6 -46.35 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 22.3 t -88.95 -23.39 22.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.19 10.66 70.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -80.57 158.53 25.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.09 153.99 33.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 164.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -159.26 141.39 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -157.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' ILE . . . . . 0.527 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.54 118.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -172.572 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.527 ' N ' HD13 ' A' ' 499' ' ' ILE . 16.8 p -111.24 126.94 55.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.467 -175.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.95 128.93 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -62.67 -44.41 96.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 42.56 79.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -169.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 97.5 p -152.06 142.77 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 18.2 t 60.06 -170.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.671 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 73.8 m -49.89 151.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 158.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 399' ' ' LEU . . . . . 0.582 HD21 HG13 ' A' ' 501' ' ' ILE . 46.5 tp -144.81 76.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -80.49 -173.52 46.68 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 401' ' ' ILE . . . . . 0.448 HG22 ' CG1' ' A' ' 440' ' ' VAL . 0.9 OUTLIER -130.55 160.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.239 -173.644 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.61 88.19 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.251 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 403' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 404' ' ' MET . 2.5 p -79.98 160.34 25.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 174.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 403' ' ' THR . 11.0 mmt 2.4 95.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -144.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . -42.4 110.51 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -148.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 161.19 -43.06 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.24 144.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.9 ttt -92.31 151.45 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.942 -168.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 63.5 m -134.04 108.93 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.398 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 73.3 m -71.54 79.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 165.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.465 HD22 ' CZ ' ' A' ' 426' ' ' PHE . 2.6 pp -70.17 -31.29 68.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 170.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -112.5 137.94 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -175.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -119.32 171.58 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -78.61 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.6 23.09 13.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' THR . . . . . 0.504 HG22 HG21 ' A' ' 420' ' ' THR . 2.6 m -78.13 11.78 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.421 171.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 54.9 m 83.29 -53.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 148.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 419' ' ' PRO . 47.9 mt 76.32 145.13 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 159.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' PRO . . . . . 0.541 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.98 167.04 81.64 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.075 -2.469 . . . . 0.0 111.008 -13.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 420' ' ' THR . . . . . 0.504 HG21 HG22 ' A' ' 416' ' ' THR . 5.2 t -167.16 165.82 15.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.449 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -128.61 119.49 24.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.364 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -114.54 75.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.8 t -77.03 -54.09 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -170.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 57.3 -167.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.3 86.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' PHE . . . . . 0.465 ' CZ ' HD22 ' A' ' 411' ' ' LEU . 87.7 m-85 -85.05 121.54 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 44.8 m -60.22 134.25 56.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.0 m -79.01 93.41 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.385 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.95 77.41 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -145.02 115.33 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -157.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.13 -3.96 58.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 52.66 38.56 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.2 m -116.49 -48.1 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -128.89 -178.58 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.5 p -135.72 144.61 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 167.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -123.96 126.42 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.36 169.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 137.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 172.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.05 139.35 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 153.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' VAL . . . . . 0.507 ' HB ' HD11 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -112.27 129.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 169.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 150.68 44.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -167.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.84 146.64 41.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -172.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 128.41 -98.76 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -171.89 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 110.31 163.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -165.2 35.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 -160.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -132.53 -56.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.248 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 128.04 56.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -175.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.23 92.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -174.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.91 -11.06 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -164.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.14 27.24 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -137.25 157.63 46.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -76.57 119.48 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -168.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 88.1 p -75.7 157.69 33.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -172.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.539 ' O ' HD13 ' A' ' 454' ' ' LEU . 0.9 OUTLIER -163.0 66.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 113.8 113.56 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 151.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -102.33 146.19 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 110.363 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.23 146.83 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.923 167.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -145.08 153.45 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.24 136.86 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -83.97 144.2 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 174.69 -42.7 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -163.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.41 141.68 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -176.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -163.052 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.65 106.01 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -169.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -101.71 107.51 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.49 98.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.9 m -78.74 143.6 36.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.63 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 168.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -120.64 123.38 42.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -162.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.5 tt -80.78 127.3 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.06 170.28 16.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.43 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.88 -16.77 61.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.56 8.09 58.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.5 mt -74.94 141.16 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.246 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.524 ' HG ' HD23 ' A' ' 399' ' ' LEU . 3.8 mm? -81.65 98.66 8.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 166.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 118.43 12.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.617 155.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 88.2 t -121.72 134.37 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 166.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -150.08 151.2 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 -170.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -119.48 121.53 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.226 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -112.09 117.69 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 -170.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.8 120.42 31.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -15.72 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 173.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.75 -57.7 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.5 t -97.17 -27.24 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.977 -168.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.39 10.4 70.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -80.29 145.73 31.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.297 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -138.44 93.38 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -84.43 137.02 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 152.06 51.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -161.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.3 136.74 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 175.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 3.0 p -122.81 114.65 20.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.404 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 501' ' ' ILE . . . . . 0.582 HG13 HD21 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -126.0 141.97 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 -172.236 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -92.09 -57.91 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -157.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 58.92 50.77 8.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 167.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 17.9 t -110.36 48.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.2 t 56.47 76.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.925 -178.721 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 49.2 m -54.12 136.92 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.493 HD23 HD13 ' A' ' 484' ' ' LEU . 8.9 tp -140.98 107.37 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -106.74 175.8 21.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.6 pt -118.53 168.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 0.723 . . . . 0.0 109.303 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.59 108.97 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 17.3 p -102.68 176.5 5.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.434 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.5 ttm -48.71 127.82 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 100.24 25.72 8.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 170.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 61.36 36.14 92.03 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.12 140.51 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -76.89 144.02 39.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.5 m -135.0 119.18 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 167.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 42.2 m -71.79 80.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 170.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 60.6 mt -83.75 -10.91 57.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.02 142.77 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -115.97 166.35 12.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -166.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -54.34 -44.6 72.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -111.35 50.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.377 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 420' ' ' THR . 87.6 m -76.42 61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 170.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.5 m 40.33 59.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 162.48 57.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -168.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 164.32 88.62 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 120.95 -2.521 . . . . 0.0 110.975 -21.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 416' ' ' THR . 15.3 t -160.07 174.79 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -150.83 96.54 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -101.08 142.49 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 73.3 p -146.45 69.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 425' ' ' VAL . 0.3 OUTLIER -174.44 174.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -175.295 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 425' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 424' ' ' GLN . 12.0 m 32.57 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 -167.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.591 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 0.3 OUTLIER -145.4 106.81 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 173.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 48.9 m -143.12 153.66 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -173.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -79.86 132.08 36.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.61 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -164.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -84.88 88.17 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -161.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -67.84 -30.94 70.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.45 0.61 57.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -166.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -114.04 -172.21 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.29 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 p -130.74 43.44 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 158.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.17 167.22 30.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -172.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 4.8 p -109.82 143.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 68.4 p -138.68 94.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -80.06 132.98 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -116.62 135.63 53.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 166.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 440' ' ' VAL . 0.9 OUTLIER -102.91 117.25 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -169.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 8.7 mt -118.35 103.49 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -162.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.82 139.42 38.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 114.88 157.17 11.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -103.61 108.83 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.53 136.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -171.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -64.47 -61.64 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.252 -169.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -67.0 139.75 57.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.86 60.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.76 -8.7 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.61 15.13 23.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -131.72 152.74 50.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.56 94.44 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -159.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 96.6 p -75.51 146.95 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 109.982 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -148.2 13.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 174.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -166.88 142.0 7.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -160.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -165.85 154.63 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.285 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 148.89 26.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 111.082 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.95 158.1 42.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -168.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 497' ' ' GLN . 39.4 tp -154.86 130.34 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.86 151.01 24.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.55 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.44 151.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -168.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -155.84 152.87 24.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 167.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.41 151.01 74.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 61.2 5.58 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.27 -37.76 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -129.43 29.43 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 65.3 mtt 44.28 63.2 8.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 111.051 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -149.86 101.5 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.24 174.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -135.1 129.26 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -164.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -135.11 131.72 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 426' ' ' PHE . 21.3 t -110.9 132.3 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.66 145.78 37.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 54.2 m-85 -105.13 94.42 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.56 121.75 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.415 HD11 HD12 ' A' ' 484' ' ' LEU . 0.3 OUTLIER -104.89 129.32 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 178.311 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.93 175.23 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.28 94.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.218 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.87 -17.61 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 96.21 23.8 16.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.8 mt -73.5 131.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.493 HD13 HD23 ' A' ' 399' ' ' LEU . 0.4 OUTLIER -81.18 105.61 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 171.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -93.1 92.1 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.17 127.03 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -172.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 47.0 t -139.43 127.41 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.97 -158.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -113.68 133.33 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -134.53 115.58 14.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -96.13 110.01 22.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -78.09 -25.07 47.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -76.23 -48.93 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 28.0 t -82.82 -24.97 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.27 70.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.29 141.14 35.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.273 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.42 140.21 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 154.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' GLN . . . . . 0.464 ' HB2' HD13 ' A' ' 459' ' ' LEU . 0.0 OUTLIER -154.45 134.81 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 172.002 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -150.27 154.28 37.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.244 -163.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.88 134.74 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -165.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 12.4 p -111.65 126.73 55.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.04 124.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -56.86 159.2 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -133.72 57.09 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.322 169.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 81.0 p -156.89 159.44 38.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 41.0 t 51.47 81.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -173.25 173.84 45.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 64.1 tp . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 -175.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.7 m -60.84 93.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 166.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 400' ' ' GLY . 6.8 tt -79.89 127.41 32.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 171.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.518 ' N ' HD23 ' A' ' 399' ' ' LEU . . . -141.2 145.84 16.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.062 169.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -92.96 165.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.47 92.72 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.5 p -91.8 146.98 23.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.3 ttm -50.24 133.77 23.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -162.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.95 -17.12 6.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 82.11 31.46 31.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -173.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 13.1 p -140.88 131.92 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -77.49 154.09 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 93.8 m -130.69 113.01 13.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 172.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 63.2 m -65.35 73.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 163.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.53 -19.31 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.3 tt -140.4 149.66 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -139.77 166.93 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -164.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -75.65 -7.91 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.38 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -120.51 60.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 168.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.593 HG22 HG21 ' A' ' 420' ' ' THR . 51.1 m -113.8 60.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.182 . . . . 0.0 110.339 164.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 89.4 m 67.18 -75.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.456 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 29.2 mt 60.78 92.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.3 Cg_endo -75.11 165.53 85.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 20.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.593 HG21 HG22 ' A' ' 416' ' ' THR . 8.8 t -163.35 -178.66 6.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 150.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.65 122.9 15.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -124.67 155.99 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 32.1 t -149.52 51.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -58.63 155.59 12.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.3 134.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -144.12 82.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -60.26 144.92 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.06 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 5.6 p -79.01 123.84 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.58 -6.48 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 -167.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.65 80.26 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 168.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -68.9 -27.02 65.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 109.303 -166.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -71.95 -26.72 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -92.49 135.93 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.238 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 m -82.58 63.13 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.22 172.56 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.3 p -129.6 136.67 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -121.3 110.52 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.374 -172.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.23 134.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.373 170.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -137.91 107.57 6.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 56.0 t -74.31 134.48 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.263 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.92 160.41 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 168.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -156.1 158.42 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.333 165.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 145.18 -142.08 10.47 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.517 1.136 . . . . 0.0 111.06 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -145.32 39.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.19 117.82 16.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 168.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.25 -39.33 68.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 -164.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -61.57 119.19 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.18 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -150.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.84 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.79 -2.14 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -105.07 162.52 13.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -68.63 137.28 54.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 36.7 p -78.29 152.13 32.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 8.1 tp -152.1 53.41 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 77.29 171.57 35.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.31 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.92 137.43 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -177.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -141.72 153.77 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.71 143.98 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.0 175.63 6.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -168.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.74 21.8 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.35 162.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.372 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -110.42 114.39 55.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 171.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.91 17.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.915 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -127.09 80.75 71.1 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 165.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -45.54 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 83.01 -44.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 161.58 -37.58 0.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -63.42 -58.7 14.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -163.071 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -75.01 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -161.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.4 135.83 30.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -137.37 110.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -97.81 126.0 42.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 163.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 48.2 t -108.41 83.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 152.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 6.5 m -68.79 116.21 9.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -93.34 88.57 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.22 120.77 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -163.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tt -104.75 124.06 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.81 167.19 21.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.18 -27.97 69.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.93 -18.0 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.22 13.62 51.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.6 mt -80.52 137.93 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 168.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.436 HD12 HD22 ' A' ' 399' ' ' LEU . 0.2 OUTLIER -87.68 96.99 10.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 171.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -77.06 95.71 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 109.56 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.423 HG23 HD22 ' A' ' 484' ' ' LEU . 56.8 t -96.56 125.31 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 152.45 46.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.08 140.84 46.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.437 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 1.0 OUTLIER -146.99 113.71 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -174.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.65 123.33 39.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.242 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -76.06 -16.13 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 168.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.91 -55.89 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.7 t -102.86 -21.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.72 10.16 70.44 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -80.98 154.7 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.378 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' GLU . . . . . 0.437 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 19.6 pt-20 -160.07 155.91 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 168.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.04 179.8 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.69 155.17 46.55 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 -159.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.592 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -148.11 122.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 170.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.592 ' N ' HD13 ' A' ' 499' ' ' ILE . 11.6 p -102.38 129.58 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.02 124.58 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -68.8 159.21 32.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 172.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -153.66 144.5 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 4.2 t 63.54 -179.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -160.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 16.1 m 51.63 45.2 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 162.46 -154.84 25.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.107 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 67.7 tp . . . . . 0 C--O 1.208 -1.132 0 O-C-N 124.569 0.805 . . . . 0.0 109.228 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 58.5 m -51.08 112.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 399' ' ' LEU . 9.7 tt -81.79 133.2 35.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.371 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.94 159.91 28.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 166.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.6 pt -109.63 165.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.376 0.692 . . . . 0.0 109.302 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.93 84.85 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 426' ' ' PHE . 5.6 p -79.4 178.19 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.451 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 43.4 mtt -42.28 120.25 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 116.07 -19.4 13.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 85.39 41.51 7.36 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.79 139.24 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -74.58 106.73 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 98.5 m -97.55 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.345 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 97.0 m -65.41 82.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 164.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 411' ' ' LEU . 3.4 tm? -67.9 -53.57 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 171.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.21 133.73 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -90.78 157.46 17.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 109.329 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.0 111.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 62.47 63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -174.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 417' ' ' THR . 90.8 m -69.87 63.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 167.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 416' ' ' THR . 36.2 m 40.72 67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.6 pt -72.41 163.53 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -165.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.74 87.72 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -23.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 11.6 t -164.73 162.34 21.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -118.12 143.66 46.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -131.04 119.5 22.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.585 166.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 7.1 p -92.45 125.25 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.963 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.66 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 49.9 t -114.68 127.42 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.459 ' CD1' HG22 ' A' ' 403' ' ' THR . 0.1 OUTLIER -163.41 39.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 173.699 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.1 p -133.15 27.53 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 39.2 p -128.49 63.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.473 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.09 -46.97 31.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -93.4 116.73 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.08 -34.45 76.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.03 -41.26 97.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.48 102.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 48.9 m -81.1 60.61 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -161.03 172.58 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.275 -174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 5.1 m -114.12 147.31 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 152.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.2 p -137.26 96.12 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.405 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.9 mp -100.94 129.54 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -109.81 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.555 158.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.34 129.96 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.53 163.74 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 174.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -145.76 140.48 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 166.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 161.52 -157.43 29.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.77 38.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 447' ' ' ARG . 5.2 mtm180 -119.0 10.89 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -170.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 68.44 -76.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.275 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 445' ' ' ARG . 6.6 mtp-105 -65.64 138.78 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.223 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -24.11 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.233 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.18 -9.9 58.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.32 0.01 24.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.41 148.14 31.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -160.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -81.02 110.92 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -166.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 31.1 p -79.59 147.71 31.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.54 21.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 175.498 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -179.8 147.63 7.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -165.6 148.89 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.365 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -164.56 161.32 21.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.963 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -136.19 170.13 16.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 16.6 tp -142.61 101.92 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 160.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.14 150.42 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 82.11 27.16 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -172.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 472' ' ' ILE . 5.2 tt -74.7 144.41 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -152.44 80.34 5.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -166.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 158.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.36 160.8 69.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 160.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.25 120.5 11.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 100.89 -10.06 58.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.428 ' N ' ' HD3' ' A' ' 470' ' ' PRO . 64.3 mtt 48.36 63.06 10.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 0.803 . . . . 0.0 111.0 -175.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -74.96 -178.64 4.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 168.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -137.76 153.63 49.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 462' ' ' ILE . 1.8 tp -97.5 140.19 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 165.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -137.44 102.61 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.71 96.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.213 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.2 m -74.02 140.2 45.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -117.46 91.1 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 160.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -110.51 119.63 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.19 124.24 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -173.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.8 168.21 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -167.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.12 77.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.96 -17.55 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 94.64 18.84 33.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 483' ' ' ILE . 2.1 mp -95.27 139.43 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 17.2 tp -88.79 113.95 24.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 168.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -87.04 114.9 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.569 167.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.32 130.71 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 88.3 p -149.9 131.57 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.56 102.17 14.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -100.67 107.88 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.5 116.64 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -77.06 -25.43 52.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.351 -171.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -84.91 -48.66 9.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.37 1.044 . . . . 0.0 109.268 -173.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 32.7 t -74.27 -30.75 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.57 84.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -81.23 148.99 29.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -138.33 119.93 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 167.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -102.93 126.86 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -102.83 151.65 22.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 -164.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.656 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.47 124.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 162.34 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.656 ' N ' HD13 ' A' ' 499' ' ' ILE . 22.5 p -98.98 128.35 45.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -135.49 137.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 174.406 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -59.15 161.23 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.26 156.64 48.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 3.3 t 74.05 115.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.1 t 60.26 -166.96 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 59.1 35.86 85.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.71 ' C ' HD22 ' A' ' 507' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.209 -1.029 0 O-C-N 124.557 0.799 . . . . 0.0 109.379 -168.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 38.6 m -68.94 121.65 17.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 400' ' ' GLY . 6.8 tt -86.97 135.28 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.601 ' N ' HD23 ' A' ' 399' ' ' LEU . . . -145.41 143.86 12.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 172.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.461 HD13 ' CE1' ' A' ' 476' ' ' PHE . 1.7 pt -95.27 151.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -172.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -79.56 116.85 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.315 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' THR . . . . . 0.434 HG23 HG13 ' A' ' 401' ' ' ILE . 26.6 p -114.17 169.48 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.414 166.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 36.7 ttm -50.51 138.28 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 114.39 -14.49 20.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 68.75 42.52 79.15 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.91 137.59 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -167.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 9.5 ttt -79.41 99.58 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 111.09 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 84.8 m -75.27 88.97 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 55.6 m -70.19 76.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.751 HD22 ' O ' ' A' ' 411' ' ' LEU . 0.0 OUTLIER -82.08 -5.7 58.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -177.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.86 149.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.241 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.2 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -50.2 -37.86 37.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -111.42 61.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -175.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.53 HG22 HG21 ' A' ' 420' ' ' THR . 37.8 m -92.62 46.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 57.2 m 61.31 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 416' ' ' THR . 2.6 mt 67.18 132.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.312 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.46 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.0 158.41 99.02 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.991 -1.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.53 HG21 HG22 ' A' ' 416' ' ' THR . 8.0 t -164.63 169.48 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.419 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -135.44 130.56 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -126.62 152.22 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.0 p -163.01 171.69 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.079 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 65.01 174.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 2.9 t 56.87 36.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -159.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -148.62 150.91 34.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.4 m -175.68 176.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -167.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.1 p -77.53 74.06 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.25 77.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.02 130.25 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -161.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 52.31 50.5 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.356 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 49.7 m -160.19 -51.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -106.03 167.1 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.7 p -131.84 118.29 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 7.5 t -101.02 135.54 42.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 172.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.3 mp -118.6 127.88 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 163.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.52 109.08 19.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.594 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.8 131.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 3.1 mt -120.68 167.52 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 166.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.77 139.46 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 153.73 -134.15 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.02 41.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.31 160.09 34.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.62 -56.28 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -85.6 146.35 26.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -80.77 -15.46 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -160.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.34 -9.45 58.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.32 12.28 18.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.354 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.07 148.55 42.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.264 -169.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.78 142.7 32.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -169.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 11.8 p -80.52 160.92 25.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -174.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.21 48.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 163.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 64.57 -167.21 29.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -155.6 163.75 39.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.246 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.75 143.42 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 168.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.13 137.92 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.6 148.29 30.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 172.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.61 163.83 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.273 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.61 -43.78 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.33 144.05 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -170.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -96.85 147.28 32.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 166.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.71 152.63 75.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.46 3.05 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -66.53 -37.2 84.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 -162.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -135.43 40.5 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 47.1 61.73 13.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.066 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.27 10.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 -163.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -162.88 153.32 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.11 137.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -171.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -126.33 139.35 53.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 157.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 114.98 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 161.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 2.3 m -86.93 147.34 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 401' ' ' ILE . 93.5 m-85 -138.83 89.1 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -133.8 124.29 26.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -157.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.6 tt -101.4 132.65 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.387 1.055 . . . . 0.0 109.353 -169.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.84 172.69 8.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.18 77.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.32 -17.02 63.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 19.39 30.93 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 483' ' ' ILE . 1.9 mp -92.36 134.24 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 109.285 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.3 tp -82.4 110.89 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.366 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -81.5 120.13 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.643 164.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 72.1 t -120.33 133.35 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -153.29 155.58 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 -171.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.76 141.89 51.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -131.84 111.07 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.52 125.27 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -173.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 169.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.97 -56.58 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.329 -170.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.8 t -99.94 -11.27 20.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.934 -171.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 79.24 10.56 85.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -77.29 157.08 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.361 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -148.27 131.43 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 162.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -129.97 139.83 51.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 146.45 49.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 130.76 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.3 p -111.02 126.63 55.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.398 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.73 132.27 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -177.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -79.69 138.83 37.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -86.06 63.18 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 14.8 t -171.39 142.13 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 26.9 t -162.35 -58.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 132.19 130.53 3.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.6 tp . . . . . 0 C--O 1.208 -1.094 0 O-C-N 124.453 0.737 . . . . 0.0 109.298 -179.075 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 40.4 m -60.32 141.72 55.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 400' ' ' GLY . 0.6 OUTLIER -102.51 117.39 34.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -177.347 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.519 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -126.12 -179.64 15.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 4.5 pt -131.91 163.87 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.355 173.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -77.91 126.98 31.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.84 164.41 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.391 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.6 ttm -52.23 124.89 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -163.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.73 -22.59 4.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.32 33.31 14.43 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -173.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.1 146.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -168.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.95 152.47 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.2 m -127.33 125.5 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 164.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 36.0 m -67.73 73.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -38.77 92.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.24 152.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.231 170.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -124.57 168.53 12.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 176.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -54.67 -42.51 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -175.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -121.22 60.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 418' ' ' ILE . 46.2 m -76.76 50.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 167.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.1 m 52.64 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 -160.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.482 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 45.8 mt 67.09 130.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -176.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.93 158.08 99.2 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.089 0.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.447 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -160.92 166.28 28.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.477 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -144.46 127.14 16.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -163.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -151.44 160.68 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 424' ' ' GLN . 84.6 p -145.15 -89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 173.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' GLN . . . . . 0.762 ' O ' HG12 ' A' ' 425' ' ' VAL . 33.4 tt0 54.69 39.84 31.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 424' ' ' GLN . 2.1 p 62.92 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 158.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -154.19 135.75 14.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.8 m -67.41 129.57 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -165.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.39 68.42 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 166.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.17 70.98 10.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.84 105.34 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.32 -22.62 54.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -171.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.65 -29.16 69.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -162.96 134.79 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.5 p -71.11 73.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -144.17 130.62 19.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.5 136.25 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 437' ' ' THR . 15.2 t -132.73 116.27 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.8 mp -94.22 102.23 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.182 . . . . 0.0 109.262 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -80.48 102.66 9.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 161.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -89.31 130.42 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -163.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.11 141.2 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -112.77 132.27 55.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 156.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.71 174.05 17.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.568 1.168 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.22 51.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.253 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 42.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -171.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 63.4 -89.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.96 134.07 44.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -168.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.36 80.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -163.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.99 -8.23 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -106.72 5.03 28.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.78 162.75 16.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -79.66 84.11 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 55.1 p -68.51 156.64 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.59 46.3 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.17 -160.83 14.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -164.12 160.08 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.252 -172.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.18 138.71 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 173.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -128.39 163.39 24.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -146.74 119.37 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 173.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -97.51 151.13 20.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -161.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.2 44.93 4.89 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.52 87.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -59.49 126.37 82.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -173.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 68.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.927 170.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.4 78.21 1.69 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 72.62 4.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -69.53 95.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.75 16.55 44.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.426 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 64.1 mtt 53.72 62.68 8.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 154.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 75.44 152.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 7.0 tp -78.98 135.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 162.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -119.41 102.15 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.382 169.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.86 119.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 167.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' THR . . . . . 0.489 ' OG1' ' NZ ' ' A' ' 489' ' ' LYS . 79.0 m -97.67 145.25 26.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.453 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.43 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -125.65 124.38 41.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.7 tt -113.47 128.23 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -170.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.55 -179.6 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.7 70.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -171.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.84 -18.01 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.48 45.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.31 129.12 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 119.62 23.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 170.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -92.83 104.23 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.591 172.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.41 114.88 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.5 p -146.71 144.69 29.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -163.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -132.23 127.67 36.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.489 ' NZ ' ' OG1' ' A' ' 475' ' ' THR . 14.4 pttm -143.58 110.57 5.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -167.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.06 118.66 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -76.07 -15.76 60.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -81.38 -51.91 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.6 t -92.56 -24.68 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -167.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.77 69.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -71.26 152.18 43.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.65 134.35 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 166.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -142.61 157.24 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 164.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.82 147.06 34.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -169.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -136.77 127.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 175.163 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.611 ' N ' HD13 ' A' ' 499' ' ' ILE . 18.0 p -106.99 129.15 54.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.426 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.93 137.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.62 1.2 . . . . 0.0 109.28 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -64.93 137.15 57.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -103.22 51.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 45.3 t -165.23 -50.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 93.1 p -132.05 62.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -64.81 -58.43 9.98 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 C--O 1.208 -1.094 0 O-C-N 124.537 0.786 . . . . 0.0 109.317 177.132 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 50.8 m -78.04 134.96 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -164.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 400' ' ' GLY . 1.9 tm? -85.14 128.22 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -142.76 177.34 21.87 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.443 1.09 . . . . 0.0 111.036 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.65 171.23 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 109.331 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.77 135.7 36.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 165.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.8 p -131.7 175.74 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 171.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 26.8 tpp -48.86 136.9 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -168.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 107.57 -2.67 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 67.86 35.54 85.03 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.1 129.31 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.239 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 4.2 ptm -85.67 151.73 23.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -163.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -104.97 113.11 26.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 67.5 m -66.88 71.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 162.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.456 HD11 HD11 ' A' ' 484' ' ' LEU . 0.8 OUTLIER -70.66 -29.2 65.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -175.352 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.21 138.09 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -107.86 164.56 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -54.78 114.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 4.0 t30 62.78 61.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.491 HG22 HG21 ' A' ' 420' ' ' THR . 94.3 m -72.55 63.43 0.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 168.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 416' ' ' THR . 1.9 t 33.76 59.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 174.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.7 pt -67.78 160.67 72.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.88 89.69 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.982 -17.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.491 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -162.17 170.33 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -141.19 136.75 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -169.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -129.14 159.17 36.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.611 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.3 p -163.31 161.12 24.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' GLN . . . . . 0.421 ' O ' ' HB ' ' A' ' 425' ' ' VAL . 1.2 tt0 62.08 -167.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 173.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 425' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 424' ' ' GLN . 21.8 t 72.22 -58.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.413 ' CE2' ' CZ ' ' A' ' 476' ' ' PHE . 16.2 p90 -128.64 143.38 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 156.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 2.3 m -171.46 -63.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 44.2 p -134.1 39.84 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.88 77.3 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -151.49 126.84 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -163.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.54 -19.08 62.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -162.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -52.15 -46.97 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.226 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 46.21 56.85 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 m -163.59 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -134.43 146.58 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 170.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.91 132.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 20.0 p -123.91 98.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.84 126.37 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.64 114.61 23.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.642 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.14 131.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -171.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.13 142.28 51.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -113.51 124.28 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.283 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 173.22 -126.1 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -166.95 75.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 70.89 -169.72 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 158.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 68.41 -160.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.614 1.196 . . . . 0.0 109.293 -175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -68.01 144.16 55.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 -172.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.04 65.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.35 -11.59 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -96.12 -10.38 28.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -115.26 151.14 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -167.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -87.35 110.3 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.301 -158.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 13.6 p -71.86 144.32 49.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.665 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.82 14.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 171.347 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -161.39 136.85 4.61 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -158.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -157.03 139.46 14.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.803 . . . . 0.0 110.317 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.53 145.84 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -139.25 160.28 40.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 -169.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 13.2 tp -156.89 142.4 17.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.85 150.91 23.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -166.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.56 34.21 1.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 35.0 mm -85.65 78.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.256 164.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -68.18 125.35 91.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -166.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -34.67 3.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 171.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -82.08 156.14 69.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -172.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -22.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.919 167.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.42 114.37 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.55 -19.2 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -171.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 64.2 mtt 49.11 60.87 15.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.77 28.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -153.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -158.37 129.26 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.31 137.26 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 -168.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -144.45 142.02 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.253 167.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.01 108.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 97.6 m -88.37 145.17 25.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 -172.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.413 ' CZ ' ' CE2' ' A' ' 426' ' ' PHE . 92.2 m-85 -128.75 89.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 174.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.95 122.84 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.6 tt -102.98 129.99 53.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -95.91 179.58 5.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.57 70.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -172.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.14 -18.05 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.04 20.73 52.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.7 mt -96.25 138.99 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 168.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.47 HD13 HD12 ' A' ' 399' ' ' LEU . 0.4 OUTLIER -85.87 119.15 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 172.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -92.16 110.52 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.523 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 73.6 t -107.11 116.41 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 4.6 m -137.47 139.7 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -162.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.45 145.0 49.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -141.1 104.4 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.12 124.68 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -68.34 -33.19 73.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 169.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -70.0 -46.57 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.319 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 4.8 t -90.83 -20.33 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.23 3.14 82.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.909 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -81.75 151.11 27.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 109.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -143.97 145.76 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 158.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.38 164.11 27.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -140.29 147.32 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.5 135.78 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 170.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 34.6 p -116.64 120.8 39.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 110.377 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.81 125.44 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -175.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.81 145.77 44.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -117.84 102.36 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 47.1 t -71.11 87.26 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 58.4 m -76.77 71.42 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -160.68 -90.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 172.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 67.6 tp . . . . . 0 C--O 1.209 -1.064 0 O-C-N 124.45 0.735 . . . . 0.0 109.325 176.837 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 43.7 t -43.76 115.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.053 175.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 399' ' ' LEU . 2.1 tm? -94.91 119.94 34.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -170.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -138.26 -172.28 12.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.939 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.68 172.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.331 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 121.23 24.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 161.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 2.7 p -112.06 173.8 6.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 59.4 mtm -49.59 143.0 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -163.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 92.6 1.52 68.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.412 1.07 . . . . 0.0 111.038 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.69 60.39 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.41 137.66 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.23 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.46 148.27 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -141.29 120.57 13.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 22.8 m -79.9 117.55 20.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 156.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.825 ' O ' HG23 ' A' ' 412' ' ' ILE . 0.0 OUTLIER -115.23 1.43 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -172.361 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 411' ' ' LEU . 3.0 pt -157.52 151.65 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 147.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -91.39 170.12 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -168.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 415' ' ' ASN . 20.1 mmtt -38.81 130.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 414' ' ' LYS . 51.5 t30 80.66 -61.99 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 174.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 417' ' ' THR . 85.9 m 37.26 60.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.453 -161.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 416' ' ' THR . 57.0 m 40.38 76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.44 157.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.8 pt -67.47 173.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -163.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.97 -39.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.429 HG21 HG22 ' A' ' 416' ' ' THR . 7.7 t -166.34 159.0 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.64 135.3 46.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -175.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -137.16 163.52 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.637 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.0 t -145.97 -71.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -85.34 63.1 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 426' ' ' PHE . 11.0 m -90.19 -24.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' HG23 ' A' ' 425' ' ' VAL . 0.9 OUTLIER -153.38 39.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 157.175 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 7.2 p 58.48 -165.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 20.6 m -78.69 71.32 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 169.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.31 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -156.79 98.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -166.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -67.39 -28.19 67.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.51 -40.35 96.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -174.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 46.45 70.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 -168.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.15 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -169.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -158.67 129.31 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -174.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 436' ' ' VAL . 30.8 m -78.41 91.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 28.0 p -87.21 89.89 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.2 mp -80.83 102.07 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.386 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.43 110.35 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 160.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.48 124.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.76 150.42 36.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -166.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -133.09 165.63 24.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 149.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.62 -175.97 42.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -147.94 131.34 16.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 0.764 . . . . 0.0 110.246 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.0 21.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 166.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.6 tttm 68.76 -70.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -169.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -74.73 134.81 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.9 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.07 -8.91 59.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -162.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -107.11 0.1 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -92.29 161.16 14.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.25 82.59 6.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 19.8 m -64.24 158.95 21.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 34.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 127.11 -167.09 19.65 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -161.17 161.95 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.294 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.14 148.0 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 170.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -137.49 151.18 48.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -172.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.64 127.62 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ASP . . . . . 0.402 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 16.8 p-10 -100.84 161.28 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -169.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.3 30.4 14.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.1 mt -112.59 136.98 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -128.85 88.53 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.62 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.426 1.75 . . . . 0.0 110.98 165.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -147.57 160.22 39.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.029 165.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -64.34 99.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 131.02 -29.56 3.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 39.9 ttm 46.82 62.45 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 111.024 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 178.43 7.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.595 1.839 . . . . 0.0 110.963 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -141.32 118.89 11.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 172.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.4 tp -147.52 115.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -162.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.15 129.1 37.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 163.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 42.7 t -104.45 98.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 133.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' THR . . . . . 0.444 HG22 ' OD2' ' A' ' 477' ' ' ASP . 0.3 OUTLIER -68.31 144.08 54.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.377 -171.329 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -138.5 89.1 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' ASP . . . . . 0.444 ' OD2' HG22 ' A' ' 475' ' ' THR . 0.0 OUTLIER -122.96 123.22 40.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -166.136 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.12 123.39 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -87.71 167.39 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -173.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.65 71.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.14 -17.16 61.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 22.55 22.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 16.8 mt -91.33 139.73 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.4 104.59 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.51 113.78 21.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.45 133.55 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 91.7 p -158.17 170.54 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.94 139.03 44.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -141.23 102.08 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -170.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.04 117.16 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.95 -32.44 69.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.95 -49.0 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 30.9 t -83.43 -27.89 29.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.035 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 86.05 9.86 76.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.402 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 29.0 tttt -69.45 146.44 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -159.04 109.99 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -169.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -139.05 139.3 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 155.6 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -159.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.13 128.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 2.4 p -109.63 127.53 54.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.372 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -132.17 116.55 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.41 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -59.31 145.4 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -68.35 77.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 2.8 t -74.38 -173.88 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -162.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.9 t -150.84 153.56 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.069 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 168.21 -175.82 42.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.208 -1.108 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 57.5 m -62.96 88.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.5 tp -84.21 137.19 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 163.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -140.65 174.97 22.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 476' ' ' PHE . 0.8 OUTLIER -125.89 158.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 178.097 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.71 102.53 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 172.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 404' ' ' MET . 65.4 p -108.55 -174.4 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 164.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 404' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 403' ' ' THR . 4.1 mmt 3.33 87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -161.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 87.58 -71.29 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 152.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . -163.96 43.07 0.32 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.0 p -133.87 135.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.76 138.18 41.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 53.4 m -110.84 122.75 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.393 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.8 m -59.71 99.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 169.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.444 HD12 ' HB ' ' A' ' 412' ' ' ILE . 2.3 pp -74.38 -28.37 61.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.444 ' HB ' HD12 ' A' ' 411' ' ' LEU . 0.1 OUTLIER -146.89 151.46 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -101.83 155.9 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.21 -29.64 69.94 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -111.76 60.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.2 m -98.4 25.68 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 167.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 27.5 m 60.93 69.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 419' ' ' PRO . 19.5 mm -66.43 147.55 98.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.605 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 165.24 86.4 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.049 -15.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 1.4 t -155.07 157.51 37.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -162.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -144.28 131.13 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -143.13 136.1 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.588 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.45 160.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 60.04 30.99 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.08 20.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -146.67 99.87 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -77.3 146.15 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -175.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 14.9 p -79.51 71.79 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.42 99.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.4 133.8 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.34 -17.8 62.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.58 -40.43 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 49.13 49.22 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.1 t -168.21 -47.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.039 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -121.58 -179.31 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.74 132.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 164.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 41.4 p -133.63 99.13 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -169.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.21 125.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -96.85 120.42 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 149.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 440' ' ' VAL . 1.2 t -81.33 120.04 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 172.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.08 135.0 35.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -111.23 163.26 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 171.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 119.68 156.96 10.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.073 . . . . 0.0 111.027 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -84.69 67.82 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.272 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -133.86 130.05 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -74.82 -32.71 62.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -78.54 126.04 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.74 83.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -169.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -91.78 37.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -168.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 1.6 11.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 165.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -118.03 164.69 14.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -155.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -77.83 95.42 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 -172.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 85.4 p -62.0 146.12 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 170.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.43 37.15 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 141.69 170.29 12.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -164.22 157.17 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.64 160.34 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -136.16 156.58 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -144.97 116.74 8.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -94.44 118.3 31.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.11 48.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.81 66.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.432 0.725 . . . . 0.0 109.259 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.1 136.18 41.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -170.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 77.9 3.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.012 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 466' ' ' PRO . . . -135.57 162.14 58.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 177.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 465' ' ' ALA . 18.3 Cg_endo -74.96 -174.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -163.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 77.7 -60.91 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 165.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 160.97 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 168.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.54 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -59.45 -52.72 72.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 111.052 -175.462 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -75.06 63.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 0.0 110.927 -169.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -93.32 52.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 110.236 -162.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.3 tp -83.93 145.5 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -168.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.31 134.33 50.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 154.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.38 128.76 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 85.3 m -97.81 145.11 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 401' ' ' ILE . 96.7 m-85 -140.73 89.65 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.948 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -137.16 124.82 22.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -155.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.498 HG13 HD22 ' A' ' 484' ' ' LEU . 3.5 mp -87.92 123.6 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.09 173.6 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.33 -28.41 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.334 -168.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.33 -17.96 63.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.48 22.36 37.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.52 139.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.498 HD22 HG13 ' A' ' 478' ' ' ILE . 0.0 OUTLIER -75.35 114.18 13.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 165.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -86.43 121.28 28.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 159.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.0 t -125.46 131.21 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 99.2 p -154.18 140.99 19.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -116.23 137.54 52.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -143.27 140.79 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.94 126.44 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.252 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.66 -16.02 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -64.38 -57.63 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 34.9 t -92.36 -29.6 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 4.29 78.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.57 160.19 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.81 147.68 27.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 110.307 -158.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -133.36 137.24 45.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 147.75 49.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -156.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.33 132.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.086 . . . . 0.0 109.384 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.4 p -116.25 126.06 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.53 122.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -174.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -57.3 132.37 52.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -142.14 47.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.8 t -152.84 134.16 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 22.4 m 51.99 79.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.974 -174.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -178.36 167.43 38.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.209 -1.033 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -175.734 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 169.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.081 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.688 HD22 ' HB ' ' A' ' 440' ' ' VAL . 0.3 OUTLIER -148.82 78.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 170.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.36 153.12 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.43 1.082 . . . . 0.0 111.029 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 476' ' ' PHE . 14.9 pt -101.93 150.61 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.325 -167.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.33 99.05 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.69 -179.61 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.397 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 73.8 mtp -47.16 128.0 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 -165.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 91.9 25.69 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 64.72 34.82 90.91 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.7 p -114.93 139.62 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 26.0 ttt -76.4 128.71 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 85.1 m -111.61 115.6 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 162.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 20.2 m -71.95 68.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.437 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 52.0 tp -73.4 -27.1 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.76 136.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 174.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -108.84 166.21 10.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.45 116.94 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 54.66 60.13 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -170.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 63.0 m -51.64 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.535 ' C ' HG22 ' A' ' 418' ' ' ILE . 1.1 m -161.19 -32.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 110.351 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.535 HG22 ' C ' ' A' ' 417' ' ' THR . 14.9 tt 49.49 80.53 0.29 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 144.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 147.33 89.03 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.984 16.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 14.2 t -163.36 -175.44 4.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 152.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.85 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 177.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -130.74 160.08 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 165.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 65.5 p -141.04 142.41 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.058 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 61.38 -162.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 4.1 t 54.24 47.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -158.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.462 ' CE1' HD11 ' A' ' 438' ' ' ILE . 32.8 t80 -150.03 145.6 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 111.076 165.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.3 p -164.03 167.34 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 48.8 p -91.99 144.95 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.47 -61.01 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -89.51 139.05 30.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.342 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -68.36 -29.46 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.58 -41.2 94.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -86.11 77.27 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.3 m -84.03 44.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.023 -169.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -150.66 133.38 15.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -160.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 436' ' ' VAL . 16.9 m -80.61 90.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 175.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 437' ' ' THR . 11.3 t -84.6 105.14 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 162.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.566 HG21 HG11 ' A' ' 486' ' ' VAL . 2.7 mp -102.64 100.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 168.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -67.0 139.66 57.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 143.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.688 ' HB ' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -111.6 142.07 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 162.321 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.2 117.43 21.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -162.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.39 132.14 34.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 172.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 140.53 -155.78 24.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 451' ' ' ASN . 40.4 tt0 -155.73 90.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 0.782 . . . . 0.0 110.38 170.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -137.86 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.226 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -77.32 -50.94 11.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -86.65 137.06 32.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.12 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -167.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.56 -6.38 33.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 444' ' ' GLU . 4.1 t-20 -111.37 145.29 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -167.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -86.77 96.06 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -154.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 83.5 p -63.58 156.87 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.634 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -141.51 30.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 169.601 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.12 174.64 13.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -157.18 168.78 26.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.02 147.53 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 168.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.97 133.55 46.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.0 tm? -139.89 122.64 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ASP . . . . . 0.422 ' N ' HD13 ' A' ' 459' ' ' LEU . 17.2 p-10 -100.38 120.0 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -166.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 153.34 52.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 tp -71.99 156.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -113.99 95.22 37.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 80.26 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.602 1.843 . . . . 0.0 111.006 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -155.22 160.45 30.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -49.18 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.764 . . . . 0.0 110.951 161.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.7 100.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 105.47 22.46 8.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 8.6 mtt -52.93 -44.67 97.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 160.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 83.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 154.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -160.78 -39.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 168.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 8.1 tp -78.23 144.88 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 148.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.41 105.57 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 171.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.78 118.14 52.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 26.6 m -101.93 145.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 401' ' ' ILE . 15.1 m-85 -131.61 89.12 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 170.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.08 121.56 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -166.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.17 125.75 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.97 168.43 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -167.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.81 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -17.62 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.81 9.71 57.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.73 137.49 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.411 HD23 HG11 ' A' ' 440' ' ' VAL . 18.5 tp -91.91 106.6 18.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 159.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -75.21 123.1 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 161.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 438' ' ' ILE . 57.5 t -118.25 138.62 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 172.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 43.7 p -153.24 154.97 35.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.63 139.13 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -123.85 113.67 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.01 107.04 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.59 -16.07 61.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.98 -55.71 17.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 21.7 t -102.92 -11.69 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -166.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 82.59 10.39 83.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -80.47 160.91 25.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 6.1 pt-20 -147.29 159.56 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 155.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.17 154.42 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -140.16 148.6 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -171.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.599 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -150.65 121.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -178.091 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.599 ' N ' HD13 ' A' ' 499' ' ' ILE . 20.5 p -105.12 125.36 50.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -130.59 142.84 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 178.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -100.43 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -153.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 50.89 45.66 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 58.1 m -149.26 156.65 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 11.7 t 54.67 53.21 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -167.2 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.209 -1.058 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 176.246 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 41.5 m -53.52 132.94 40.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 109.96 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.727 HD11 HG13 ' A' ' 440' ' ' VAL . 9.2 tt -135.39 135.89 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -129.32 -179.53 16.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 162.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.26 156.03 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 0.0 109.334 171.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -79.06 102.64 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -173.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -101.23 179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 44.1 ttm -49.57 131.51 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.932 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 106.05 -14.76 44.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.73 7.33 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.8 p -133.5 133.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.245 -167.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 5.0 ptm -82.37 84.66 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -172.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 81.3 m -68.04 99.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 85.0 m -62.0 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 165.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.21 -38.86 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.03 151.34 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 172.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -88.1 162.17 16.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.4 -35.83 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -93.37 50.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -26.77 66.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 157.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 5.5 m 64.16 31.5 13.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.434 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 62.27 170.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 157.16 43.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.035 -2.486 . . . . 0.0 111.019 -73.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 2.3 t -169.23 131.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -101.42 119.74 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -114.92 164.71 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.643 166.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.26 157.52 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 424' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 426' ' ' PHE . 8.9 tp-100 59.37 -114.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.632 1.208 . . . . 0.0 110.269 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 94.5 t 44.06 -73.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -141.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 424' ' ' GLN . 35.9 p90 -109.61 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 57.8 p -145.36 -67.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.99 133.92 54.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -160.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -83.91 -22.41 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.593 1.183 . . . . 0.0 109.346 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.24 107.65 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -77.14 -24.04 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -170.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -78.85 -4.49 49.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -9.51 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p 68.22 16.6 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -152.33 171.01 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.72 139.72 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.1 p -127.34 95.83 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -166.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.8 mp -79.81 106.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -100.97 98.69 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.558 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.727 HG13 HD11 ' A' ' 399' ' ' LEU . 3.6 t -79.08 121.32 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 157.03 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 177.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.95 161.0 37.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.93 154.27 10.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.52 97.68 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.37 169.25 18.66 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.603 1.19 . . . . 0.0 110.333 174.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -92.14 -57.02 2.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.087 . . . . 0.0 109.278 168.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -90.65 142.27 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.233 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.24 79.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -167.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.54 -7.66 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -164.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.68 14.83 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -111.59 160.25 17.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -72.78 130.15 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.378 -168.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 71.2 p -79.62 158.25 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -164.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.58 ' HB3' HG12 ' A' ' 440' ' ' VAL . 0.9 OUTLIER -159.13 57.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -177.488 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 66.8 177.71 8.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 169.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.62 161.43 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.278 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.41 141.03 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -123.39 158.86 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -171.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 497' ' ' GLN . 3.1 tm? -147.46 121.87 9.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -113.11 90.15 3.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -167.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -162.29 36.09 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.31 141.92 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -70.5 145.27 92.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 69.46 5.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.23 148.05 9.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 168.94 23.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 -147.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -44.43 114.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 134.99 -45.86 1.08 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.467 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 1.4 tpt -67.73 -59.46 6.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 111.032 -172.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.4 Cg_endo -75.0 144.62 30.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -157.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -86.93 82.63 7.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -173.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.68 130.7 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 -157.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.03 124.93 44.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 163.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -107.67 119.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.097 . . . . 0.0 109.342 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -83.31 143.15 30.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.364 -172.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 426' ' ' PHE . 48.7 m-85 -140.47 90.87 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 167.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -132.85 122.23 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -152.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.5 mm -86.05 118.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -78.23 168.15 20.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.26 -17.47 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.24 11.43 56.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 483' ' ' ILE . 1.7 mp -86.5 140.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 109.345 170.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 1.1 pp -88.28 105.63 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -87.04 131.18 34.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.2 t -119.21 144.48 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.2 t -156.41 168.27 27.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.069 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.58 21.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 125.96 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.3 124.46 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -73.81 -19.41 60.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -78.24 -52.02 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.3 t -88.84 -26.75 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -171.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 11.27 67.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -77.24 151.85 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -146.69 133.35 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.227 149.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' GLN . . . . . 0.404 ' HB2' HD23 ' A' ' 459' ' ' LEU . 84.2 mt-30 -136.61 161.11 36.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 164.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -149.06 150.61 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 -155.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.65 138.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -175.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.9 p -116.84 125.98 52.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.08 134.2 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -178.582 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -88.9 155.53 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -95.86 61.23 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 42.0 p -169.18 168.03 10.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 8.3 t 67.02 99.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.057 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -55.94 -38.92 76.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 111.017 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.209 -1.067 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 -179.439 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 35.4 m -56.18 135.01 53.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 399' ' ' LEU . 3.2 tm? -111.53 123.5 50.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.412 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -146.5 176.68 25.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.927 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.79 163.44 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.346 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -79.09 89.17 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 22.9 p -79.39 164.65 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 51.5 ttm -51.03 119.2 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.33 -25.28 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -169.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.95 9.02 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.08 134.51 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.48 99.02 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 99.2 m -85.8 101.16 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 93.7 m -65.31 96.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 161.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -16.62 46.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.5 tt -150.76 134.19 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -166.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -96.35 164.07 12.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.96 -34.81 70.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -120.4 61.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 417' ' ' THR . 65.0 m -73.78 62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 170.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 416' ' ' THR . 70.0 p 37.84 68.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.77 165.76 49.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -165.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 96.5 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 -26.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 12.9 t -164.0 175.55 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.432 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -127.12 128.75 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -103.69 91.72 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 162.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 11.3 p -71.69 130.34 40.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 168.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -160.0 133.14 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 110.272 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 5.8 m -89.13 148.62 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.205 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.59 136.1 38.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 71.9 m -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.433 HG22 ' HB ' ' A' ' 436' ' ' VAL . 22.1 p -79.46 99.91 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.375 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.63 64.34 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -167.57 69.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 110.263 -172.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.03 -29.14 68.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -168.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.54 -33.76 76.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -102.59 126.42 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 99.4 p -78.43 64.0 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.948 167.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.88 174.53 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -166.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.433 ' HB ' HG22 ' A' ' 428' ' ' THR . 0.8 OUTLIER -129.35 121.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.458 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.9 m -104.51 114.5 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 438' ' ' ILE . 1.8 mp -79.35 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.45 98.91 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.79 HG21 HD13 ' A' ' 501' ' ' ILE . 5.4 t -72.53 141.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -175.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.68 141.79 51.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 159.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.73 135.9 52.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.03 -148.2 12.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -147.11 39.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.323 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -120.34 147.41 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -77.24 -41.98 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -80.75 142.92 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -17.9 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 0.0 109.337 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.39 60.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -109.98 -2.96 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.26 144.68 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -167.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -92.91 122.45 35.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -154.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 20.7 p -82.95 142.07 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.997 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.19 -14.18 19.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 121.22 -156.28 16.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -168.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.14 160.82 42.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -168.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.02 136.29 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.26 160.22 23.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -165.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -152.72 121.51 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -105.61 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -165.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.58 19.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 463' ' ' ASN . 3.5 tt -71.82 167.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 462' ' ' ILE . 12.7 m120 -50.62 152.61 3.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 175.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -17.37 19.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -154.47 78.1 5.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -68.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 57.44 28.73 15.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.326 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.22 -22.07 42.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 169.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.515 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 2.0 tpp -58.67 -55.52 45.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -164.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.7 Cg_endo -74.94 175.79 10.75 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.454 1.765 . . . . 0.0 111.055 -166.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -73.25 79.89 1.31 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.406 1.066 . . . . 0.0 110.277 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 474' ' ' VAL . 31.3 mm -106.88 91.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.54 72.56 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 176.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.469 HG23 HG22 ' A' ' 472' ' ' ILE . 73.8 t -82.44 91.52 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 158.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 12.4 m -90.18 143.81 26.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 -159.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -108.06 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 164.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.2 120.67 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -165.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.8 tt -100.69 128.25 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.49 175.25 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.196 . . . . 0.0 109.292 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.11 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.26 -17.6 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.32 53.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.22 137.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 0.0 109.305 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.61 103.11 11.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 171.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.12 98.83 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 168.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.67 111.16 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.0 p -98.96 166.15 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.933 -172.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -138.91 98.74 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 152.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -106.08 103.35 12.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.6 124.15 39.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -172.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -64.84 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -67.32 -47.47 70.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 5.9 t -90.31 -30.75 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.014 -172.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.15 5.95 79.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -80.79 158.96 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.81 106.8 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 150.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -115.57 142.77 46.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 110.321 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 155.45 45.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -162.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.41 HD12 HG13 ' A' ' 501' ' ' ILE . 0.2 OUTLIER -132.78 131.78 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 176.256 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.99 121.87 39.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.79 HD13 HG21 ' A' ' 440' ' ' VAL . 4.8 mt -134.93 114.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -167.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -77.57 137.43 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -171.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -88.11 59.73 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 35.0 p -163.64 57.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 32.5 t -168.67 55.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.026 -174.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -134.6 165.82 24.39 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.165 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 39.3 m -63.86 109.37 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 441' ' ' LEU . 48.8 tp -88.01 132.78 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.41 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 167.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 5.2 pt -133.13 162.67 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.306 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -78.42 110.5 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 164.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 21.3 p -99.82 151.56 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.25 124.68 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 -157.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 133.39 -20.34 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.094 -167.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.36 29.32 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.48 137.71 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -169.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.8 tpp -68.13 123.48 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.0 m -111.2 110.61 21.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 164.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 87.1 m -66.87 87.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 170.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -49.06 -52.96 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 11.0 pt -147.44 160.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -87.44 166.98 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -167.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -34.25 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -120.82 61.17 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 417' ' ' THR . 32.3 m -74.97 63.07 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.187 . . . . 0.0 110.363 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 416' ' ' THR . 14.7 p 34.66 75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.422 168.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.52 HG22 HG21 ' A' ' 478' ' ' ILE . 9.2 pt -74.49 168.58 25.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -164.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.08 32.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.945 -31.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.447 HG21 HG22 ' A' ' 416' ' ' THR . 10.9 t -164.26 178.09 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 -178.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.8 127.89 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.324 -172.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.39 165.32 20.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.681 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 5.4 m -143.65 -62.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 69.12 158.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.311 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.55 128.02 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 158.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -151.68 121.77 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 111.062 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.7 m -72.96 141.27 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -163.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 22.8 p -82.55 94.8 7.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.46 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.22 68.09 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -158.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.8 84.61 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.7 t70 53.42 -94.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -121.25 -1.68 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -165.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -105.04 157.54 17.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.239 -158.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 69.7 m -76.3 66.45 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -157.07 167.41 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -170.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.8 p -126.47 132.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 5.9 t -114.36 122.8 47.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.384 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 438' ' ' ILE . 2.2 mp -108.04 106.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 170.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -97.74 102.58 14.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 165.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.85 120.07 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -133.19 155.15 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 175.195 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.24 144.96 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 168.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 134.57 -83.29 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -167.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.3 -28.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -60.36 -153.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 153.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -55.73 148.82 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -168.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.06 61.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.45 -10.71 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 -166.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -113.32 11.76 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -111.65 134.55 53.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -171.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -79.68 115.86 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -155.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 94.3 p -70.98 157.06 38.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.073 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -156.39 35.9 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.43 164.43 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.7 161.1 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.57 138.91 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -133.53 157.66 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 18.3 tp -126.79 115.84 19.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -99.2 145.87 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.56 44.47 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.406 HD13 HD13 ' A' ' 472' ' ' ILE . 3.3 mt -106.24 101.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 109.252 177.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -98.55 161.97 23.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.17 33.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 160.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -153.6 155.22 31.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -115.08 37.23 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 24.3 mtt -50.28 -43.07 77.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 111.066 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 87.98 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 110.933 148.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -79.83 -45.68 18.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.24 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 472' ' ' ILE . 11.4 tp -131.89 155.92 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -155.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -140.2 125.66 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.278 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 13.8 t -116.41 115.49 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.26 144.17 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -172.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -130.71 89.29 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 161.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -127.69 124.13 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -161.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.52 HG21 HG22 ' A' ' 418' ' ' ILE . 3.1 mm -81.62 126.52 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.16 169.35 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.38 -31.56 72.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -171.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.54 -17.59 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.55 22.22 27.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.12 134.62 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 101.68 11.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -73.93 122.84 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.623 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 78.1 t -120.23 134.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 94.7 p -153.47 152.76 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.76 50.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 168.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 125.89 14.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.25 125.83 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -75.02 -28.09 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -81.95 -46.11 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.268 -172.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.4 t -91.43 -34.45 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -172.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.31 7.07 77.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -80.87 140.6 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.22 157.24 38.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.277 -169.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.65 144.31 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 172.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -110.14 160.03 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -175.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -149.59 125.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 168.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.577 ' N ' HD13 ' A' ' 499' ' ' ILE . 0.8 OUTLIER -114.68 127.15 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -177.747 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.02 125.29 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 -175.292 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -64.76 138.13 58.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -83.95 96.02 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.1 t -76.9 -168.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 -165.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 78.1 p -142.49 35.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -163.65 179.53 38.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 62.5 tp . . . . . 0 C--O 1.208 -1.084 0 O-C-N 124.53 0.782 . . . . 0.0 109.351 -177.008 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 42.3 m -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 440' ' ' VAL . 4.8 tp -79.69 107.78 12.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 156.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.78 145.65 17.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 165.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.4 HD13 ' CE2' ' A' ' 476' ' ' PHE . 0.1 OUTLIER -109.98 156.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -174.781 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.35 104.9 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.2 OUTLIER -121.22 -173.7 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 -173.516 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 404' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 403' ' ' THR . 5.6 ttm -35.63 122.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 95.17 2.54 62.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 70.71 31.51 67.6 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.43 141.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.267 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.98 68.32 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -174.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.4 m -53.06 109.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 82.8 m -67.1 84.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 426' ' ' PHE . 10.5 tt -67.82 -55.03 14.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.91 132.43 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.48 163.02 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -170.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -59.3 109.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.21 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.9 t30 59.06 60.37 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.391 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.459 HG21 HG21 ' A' ' 420' ' ' THR . 37.8 m -49.53 -72.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 418' ' ' ILE . 83.6 m -155.87 -40.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 419' ' ' PRO . 18.8 pt 42.75 79.08 0.35 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 166.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 159.0 98.65 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.085 15.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.459 HG21 HG21 ' A' ' 416' ' ' THR . 0.7 OUTLIER -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 157.377 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -144.57 135.31 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -150.92 138.78 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.613 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 94.0 p -141.01 164.19 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' GLN . . . . . 0.526 ' N ' HG22 ' A' ' 425' ' ' VAL . 0.0 OUTLIER 76.73 -51.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 178.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 425' ' ' VAL . . . . . 0.526 HG22 ' N ' ' A' ' 424' ' ' GLN . 4.8 m 35.06 -115.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 150.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.451 ' H ' HG23 ' A' ' 425' ' ' VAL . 11.7 m-85 -94.05 165.92 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 4.6 m -159.5 -68.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 169.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 36.3 p -142.46 156.02 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.432 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.05 -63.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.7 165.37 17.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.82 -22.23 64.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.203 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.38 -27.96 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.53 83.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 53.2 m -88.13 -3.85 58.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 152.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -140.44 -178.16 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.99 136.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 154.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 71.6 p -133.67 78.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.358 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.92 114.74 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -99.98 108.11 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 169.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 399' ' ' LEU . 52.7 t -71.74 122.95 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 159.74 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -132.65 149.38 52.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.87 -163.38 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -160.09 82.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.294 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 447' ' ' ARG . 0.8 OUTLIER -156.74 40.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 68.75 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 167.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 445' ' ' ARG . 1.8 mtt85 -73.9 150.91 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -171.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.55 -25.16 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.3 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.83 26.84 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.8 150.33 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 -175.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -81.75 118.29 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -159.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 17.4 p -67.4 148.03 52.12 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.442 ' HG ' HG12 ' A' ' 440' ' ' VAL . 0.7 OUTLIER -148.87 46.11 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 109.361 164.043 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 104.67 -179.95 24.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -156.43 169.49 24.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -173.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 155.24 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 166.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -137.27 154.42 50.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 4.3 tt -154.62 127.11 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 109.335 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -114.78 158.78 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -154.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.0 41.29 4.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.4 tt -101.85 158.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.9 129.7 3.68 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 173.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.27 31.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 168.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.69 150.04 9.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 157.97 42.38 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -150.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 75.77 -62.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 164.22 44.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 0.0 111.061 170.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.513 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 10.2 ttt -59.93 -57.45 26.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.727 . . . . 0.0 110.963 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.964 -154.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -128.33 124.11 35.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 168.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.2 tp -149.75 120.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.45 92.42 4.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -172.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 19.8 t -91.99 147.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 164.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -128.13 143.59 51.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' A' ' 486' ' ' VAL . 94.3 m-85 -137.97 89.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.951 161.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -122.97 123.62 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.508 HG12 HD22 ' A' ' 484' ' ' LEU . 0.3 OUTLIER -98.4 126.76 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -171.034 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -81.02 166.72 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.5 70.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.32 -17.71 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.13 22.64 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -95.86 136.43 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.585 HD12 HG23 ' A' ' 486' ' ' VAL . 0.0 OUTLIER -82.98 110.25 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 161.576 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.32 115.51 22.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.588 164.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.585 HG23 HD12 ' A' ' 484' ' ' LEU . 71.3 t -114.3 143.56 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 171.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.1 p -158.62 157.78 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.025 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.55 149.61 49.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -154.16 127.65 8.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.13 124.65 34.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -65.64 -32.39 73.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.24 -54.05 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 12.1 t -83.04 -18.66 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.028 -167.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 83.68 11.01 80.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 171.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.52 154.09 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.19 129.76 12.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 167.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -146.93 139.45 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -142.02 149.25 39.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -162.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.568 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.26 119.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -169.003 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.568 ' N ' HD13 ' A' ' 499' ' ' ILE . 9.3 p -101.9 129.75 48.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -131.3 114.79 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 178.227 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -64.07 156.17 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -53.0 128.97 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 163.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 46.9 t -139.6 163.66 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 -159.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 89.6 p -119.25 17.05 13.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 100.51 29.32 6.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -168.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.566 0.803 . . . . 0.0 109.318 173.251 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 5.9 t 62.38 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.9 82.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 162.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -91.72 179.59 41.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.663 HD13 ' CZ ' ' A' ' 476' ' ' PHE . 1.5 pt -115.67 144.37 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -177.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -78.84 78.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 37.0 p -93.61 174.31 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -50.1 128.87 19.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 111.01 -166.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 115.83 -22.36 11.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -167.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 73.89 43.91 32.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.51 137.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 -169.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.1 73.98 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 83.7 m -60.6 115.25 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.1 m -68.36 89.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 411' ' ' LEU . 1.0 OUTLIER -57.44 -55.13 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 175.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.5 pt -144.36 167.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -94.44 167.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 -155.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -67.14 124.4 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 35.0 m120 48.22 61.68 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -165.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 5.9 m -39.7 -60.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 110.364 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.482 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 170.23 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.422 -171.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 417' ' ' THR . 0.8 OUTLIER 60.74 165.97 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.04 122.41 7.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.958 -50.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 6.8 t -148.78 143.55 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -156.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -110.65 129.07 55.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.41 159.33 27.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 160.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 15.6 m -161.04 -63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -78.28 85.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -169.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.67 -59.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 401' ' ' ILE . 32.4 p90 -127.37 168.18 15.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -149.41 -167.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 68.4 p -90.93 167.61 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.47 -59.11 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -172.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -88.99 103.74 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -71.79 -29.79 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -169.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.9 -42.76 90.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -166.97 117.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 p -153.0 176.48 11.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -176.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -136.07 137.64 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 436' ' ' VAL . 34.2 m -83.54 81.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -78.61 81.72 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.414 HG21 HG11 ' A' ' 486' ' ' VAL . 1.1 mp -79.56 131.1 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.93 151.64 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.567 135.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.77 126.98 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 166.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.25 139.87 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -166.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.78 155.82 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 177.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 148.38 -152.04 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -142.57 39.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -127.69 158.99 36.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.26 -54.53 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.379 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -87.38 151.37 23.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.25 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.99 -24.81 55.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -165.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.45 -8.47 57.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -170.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -104.49 4.79 33.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.61 152.63 35.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -162.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -88.15 103.83 16.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -165.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 33.6 p -68.21 148.39 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.49 32.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 171.78 95.8 0.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.0 137.93 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 110.292 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.91 122.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.7 159.01 21.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.55 118.78 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -97.75 156.45 16.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.12 41.8 3.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.08 136.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.575 0.809 . . . . 0.0 109.288 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -148.09 89.74 5.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.44 38.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.98 21.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -174.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 163.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -67.22 106.88 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 87.34 37.84 8.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.444 ' N ' ' HD2' ' A' ' 470' ' ' PRO . 2.7 mtt -53.73 -48.09 94.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 169.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 469' ' ' MET . 18.2 Cg_endo -75.08 63.06 6.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 168.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 178.17 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.62 1.2 . . . . 0.0 110.29 -173.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 472' ' ' ILE . 0.1 OUTLIER -122.57 107.49 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 167.19 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.465 ' N ' HD13 ' A' ' 472' ' ' ILE . 0.0 OUTLIER -165.45 159.99 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -177.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 22.2 t -105.73 125.75 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 167.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.16 141.78 34.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 401' ' ' ILE . 57.5 m-85 -133.43 93.37 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.41 121.32 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -163.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.2 mm -87.24 118.85 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -79.35 166.61 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.17 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.17 -0.01 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.06 22.29 23.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 166.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -89.47 122.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.29 99.36 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -85.15 103.59 14.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 109.632 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 476' ' ' PHE . 93.9 t -102.66 125.25 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.9 p -151.83 158.79 43.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -136.42 129.72 31.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -118.3 108.85 15.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -96.43 125.98 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -77.1 -16.84 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 167.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.26 -57.46 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -172.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.1 t -104.78 -3.71 23.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.52 -5.3 84.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 170.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -74.72 160.46 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 -167.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.68 110.93 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -138.54 155.86 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.11 162.4 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -162.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.34 133.94 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 174.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.3 p -121.01 122.74 40.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 110.388 -173.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.22 127.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -177.604 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -56.74 130.24 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.36 28.37 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 29.3 t -64.89 -52.23 57.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.948 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.0 t 63.52 92.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 152.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -51.91 -74.85 0.25 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.412 1.07 . . . . 0.0 110.955 165.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 C--O 1.208 -1.1 0 O-C-N 124.526 0.78 . . . . 0.0 109.267 167.346 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.5 m -73.65 109.56 7.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.512 HD13 ' C ' ' A' ' 399' ' ' LEU . 3.3 tm? -78.76 108.41 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 167.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -120.18 169.47 13.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.654 HD11 ' CE1' ' A' ' 426' ' ' PHE . 29.6 pt -130.59 147.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 0.0 109.288 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.79 112.28 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.45 168.71 13.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 32.3 ttm -47.71 130.81 14.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -166.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 110.45 -20.68 25.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.047 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 77.29 50.64 6.58 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.12 138.88 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 409' ' ' THR . 0.0 OUTLIER -80.99 64.36 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -173.604 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 408' ' ' MET . 2.3 m -40.34 132.05 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -169.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 50.0 m -65.96 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 411' ' ' LEU . 4.2 tt -58.5 -62.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.0 142.73 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 416' ' ' THR . . . -95.68 162.49 13.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -61.13 112.52 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.3 m120 58.0 60.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -173.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 413' ' ' ALA . 42.4 m -53.51 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.38 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.3 t -166.2 -45.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.42 143.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.459 HG23 ' HA ' ' A' ' 419' ' ' PRO . 2.9 mt 69.64 134.28 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 169.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.459 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.3 Cg_endo -74.99 153.88 99.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.957 -2.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -166.4 170.38 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -142.6 139.81 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -118.28 164.56 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.556 159.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.9 p -173.95 -51.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -169.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -36.83 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 -174.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.6 59.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.654 ' CE1' HD11 ' A' ' 401' ' ' ILE . 10.5 m-85 -168.87 166.34 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 81.2 p -158.77 144.47 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.963 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.663 HG22 HG21 ' A' ' 436' ' ' VAL . 41.9 p -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 175.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -105.52 118.28 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -152.93 112.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.357 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.09 -17.99 60.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -54.7 -50.49 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.33 167.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -170.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.0 m -78.04 61.51 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.63 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.663 HG21 HG22 ' A' ' 428' ' ' THR . 7.8 p -78.23 112.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -168.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 30.9 m -117.31 99.83 7.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.89 117.24 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.18 114.63 26.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.587 160.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.87 128.73 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.239 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.67 149.69 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.79 140.28 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 173.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 163.2 -150.89 20.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.96 38.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.249 151.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -97.59 128.29 44.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -41.07 55.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -154.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.96 136.57 40.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.3 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.04 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.33 60.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -105.98 -1.17 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -111.45 146.53 37.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -80.46 100.61 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 -162.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 35.5 p -68.52 154.62 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 170.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -149.6 30.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 140.51 177.07 15.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.02 171.08 19.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.252 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.76 159.83 40.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 167.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -132.37 153.57 50.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -173.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -138.55 111.02 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 163.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -84.64 149.27 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.07 1.05 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.84 154.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -124.06 87.29 53.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.11 4.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.54 1.811 . . . . 0.0 110.958 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -153.68 157.28 32.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.04 2.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.532 1.806 . . . . 0.0 110.972 165.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.02 96.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.235 168.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 85.12 38.85 8.85 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 -175.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.551 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 2.6 ttt -58.28 -52.69 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.955 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.0 Cg_endo -75.12 74.71 3.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 110.943 -167.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -143.87 -56.46 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 6.8 mm -96.48 141.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -130.15 167.98 17.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.25 149.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 t -127.72 113.19 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 164.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.97 141.62 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.44 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 64.8 m-85 -131.16 88.6 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.07 125.06 49.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -166.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.9 tt -106.07 133.0 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -99.54 -179.09 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.18 71.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -172.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.12 -16.47 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.73 22.26 43.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.35 127.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 484' ' ' LEU . 0.0 OUTLIER -76.51 107.69 8.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 167.207 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -87.57 91.29 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.61 168.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 71.8 t -101.25 123.51 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.9 p -151.65 136.21 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 -165.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -108.89 124.99 51.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -114.76 129.76 56.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -162.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.96 103.67 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 159.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.11 -26.56 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -160.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -82.64 -41.38 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.8 t -87.79 -30.52 20.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -169.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.19 74.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.72 160.02 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.261 171.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -164.5 166.41 20.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -130.7 154.1 48.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 152.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.62 146.56 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -162.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.631 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -142.78 122.94 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 178.426 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.631 ' N ' HD13 ' A' ' 499' ' ' ILE . 42.8 p -102.3 129.59 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -134.74 120.63 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 178.495 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -70.16 110.29 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.332 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -109.26 27.67 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.235 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 21.7 m -65.6 -48.29 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 p -167.43 156.08 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 174.51 173.83 40.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--O 1.208 -1.105 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 176.807 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 29.3 m -65.83 167.96 8.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 400' ' ' GLY . 1.2 tm? -133.3 116.44 16.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -128.25 168.73 20.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 176.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.5 pt -116.36 161.72 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -79.18 125.25 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 19.4 p -129.74 176.82 7.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.458 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 8.5 mtt -41.76 134.18 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 102.78 -4.91 50.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.423 1.077 . . . . 0.0 110.961 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 62.09 44.93 97.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.4 p -127.36 139.92 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -165.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.93 125.04 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 177.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.1 m -110.36 103.95 12.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.387 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 46.5 m -64.06 87.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.72 -32.26 21.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.68 139.96 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -111.63 167.06 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 178.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.57 99.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.3 t30 59.77 61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 1.9 m -30.95 -61.28 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 156.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.458 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 173.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 179.443 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 417' ' ' THR . 1.2 pt 57.4 168.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.47 3.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.007 -34.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.9 t -132.85 142.34 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -147.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -143.1 122.49 13.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -162.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -168.06 161.37 12.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.0 p -78.94 -48.51 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 61.49 28.53 17.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -165.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 23.5 t 58.83 77.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 60.2 m-85 -134.81 43.46 2.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 161.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 31.8 t -56.11 -64.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.8 p -140.99 127.0 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 159.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.92 46.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -129.58 102.71 6.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 110.288 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -74.07 -5.74 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.47 -47.94 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -173.74 179.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -173.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 26.0 p -68.7 67.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 166.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.96 178.87 8.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.371 -167.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.8 p -132.69 90.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 165.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 64.4 p -101.92 102.01 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.4 mp -79.72 103.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -78.91 119.27 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 150.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.434 HG13 HD21 ' A' ' 399' ' ' LEU . 1.2 t -86.51 124.93 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.71 146.02 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -165.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.41 144.3 46.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 170.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -126.1 2.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -173.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -152.1 64.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 -168.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 71.01 -175.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 159.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 72.2 -172.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.368 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -49.28 132.82 19.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.84 80.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -161.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.59 56.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -169.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.12 -1.92 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.13 159.87 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.55 160.0 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 109.294 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 78.4 p -136.47 160.73 37.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.04 36.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.82 178.48 15.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -158.81 162.91 37.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.54 145.28 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.061 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -135.62 143.77 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 66.3 tp -116.08 92.99 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 155.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -95.55 160.97 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -168.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 84.82 42.23 7.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.4 tt -97.17 158.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.271 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.85 116.23 14.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 169.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 79.64 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.558 1.82 . . . . 0.0 110.962 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -146.73 151.56 42.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.67 32.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -162.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.74 113.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 127.21 -41.63 1.58 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -64.21 -57.59 17.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.766 . . . . 0.0 110.957 -168.474 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.4 Cg_endo -74.98 161.43 38.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -164.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -84.37 62.54 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.1 mm -124.55 134.91 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.246 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -108.82 126.63 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 166.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 66.5 t -121.5 120.57 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 164.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.7 m -116.12 128.65 55.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 486' ' ' VAL . 20.1 m-30 -111.77 89.16 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 173.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.6 123.37 44.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -155.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.94 116.31 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -81.85 178.28 8.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.92 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.09 -17.46 62.58 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.71 2.78 61.24 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.07 139.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.421 HD13 HD12 ' A' ' 399' ' ' LEU . 0.5 OUTLIER -79.48 96.6 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 169.086 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -84.17 90.03 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 476' ' ' PHE . 6.2 t -88.78 122.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -174.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 55.1 p -136.99 139.57 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -171.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.76 136.62 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -142.57 131.35 22.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -155.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.28 126.1 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 170.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -70.21 -32.42 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -161.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -85.18 -57.69 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 7.8 t -87.52 -18.2 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -173.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.83 64.61 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 164.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -81.12 150.59 28.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 0.82 . . . . 0.0 109.283 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.95 166.97 31.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -169.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -145.62 140.91 27.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 156.11 30.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -155.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.621 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -143.56 121.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 168.403 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.621 ' N ' HD13 ' A' ' 499' ' ' ILE . 5.2 p -99.59 127.56 45.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -135.19 124.17 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 177.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -76.62 -26.39 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 56.04 61.47 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 64.6 m -83.77 157.35 22.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 99.1 p -81.4 170.82 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.76 54.12 2.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.591 1.182 . . . . 0.0 111.038 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.207 -1.157 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 178.73 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 54.9 m -52.96 142.25 20.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -167.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 440' ' ' VAL . 10.2 mt -93.04 126.07 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 158.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -114.96 -179.85 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 157.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.403 HG22 ' CG1' ' A' ' 440' ' ' VAL . 0.4 OUTLIER -124.93 156.97 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.24 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -84.49 93.84 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 3.8 p -78.65 142.53 37.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.22 134.4 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -161.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 124.93 -17.87 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -162.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 81.06 27.03 51.3 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.9 138.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.96 130.9 35.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 60.5 m -113.98 107.09 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 166.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 17.7 m -65.56 76.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.382 162.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -41.81 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.34 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.01 163.81 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.74 -21.96 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -97.85 60.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.657 HG21 HG21 ' A' ' 420' ' ' THR . 0.2 OUTLIER -80.18 -91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 159.404 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 t -174.13 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.438 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.475 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 7.7 mt 67.82 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 158.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.06 172.99 60.24 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.919 18.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.657 HG21 HG21 ' A' ' 416' ' ' THR . 3.4 t -160.15 172.51 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 162.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -145.81 143.87 29.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 168.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -133.19 169.79 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 155.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 18.2 p -156.69 138.56 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.941 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -166.57 133.92 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 42.6 t -88.66 119.49 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 171.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -116.7 38.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 178.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -161.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -122.06 114.93 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.65 87.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -157.69 113.33 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.41 -26.41 64.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -71.48 -17.13 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 53.5 65.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -170.64 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.91 2.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.6 p -131.04 123.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.207 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 99.6 m -110.48 106.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 175.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.459 HG21 HG11 ' A' ' 486' ' ' VAL . 1.0 OUTLIER -80.79 153.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -150.95 122.67 8.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.794 ' HB ' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -108.64 139.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -178.204 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.27 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -78.52 105.83 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.21 -173.45 42.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.027 -164.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -148.52 93.23 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 75.84 -175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 161.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.5 tttt 74.2 -158.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -170.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -74.74 142.12 44.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.53 80.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.03 -9.62 58.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 -169.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.95 -4.87 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -118.06 153.1 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.83 119.63 25.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -156.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 34.4 p -61.01 148.53 39.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -174.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.519 ' O ' HD13 ' A' ' 454' ' ' LEU . 2.4 tm? -163.44 66.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -174.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 96.33 144.53 17.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 153.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.04 156.37 42.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 0.807 . . . . 0.0 110.286 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.58 147.74 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.12 149.01 44.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.57 139.13 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 166.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.78 124.38 40.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 158.9 49.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 167.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 31.4 mm -102.64 153.73 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.18 91.37 39.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 171.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 94.88 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.594 1.839 . . . . 0.0 110.965 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -157.43 167.32 14.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 468' ' ' GLY . 18.2 Cg_endo -74.97 -172.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.05 153.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 63.4 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 165.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 466' ' ' PRO . . . -99.59 22.17 41.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -172.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -49.56 -59.06 7.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.97 171.824 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.0 Cg_endo -75.1 72.52 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.955 -152.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -136.38 31.26 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 21.1 mm -125.68 153.1 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -135.02 137.61 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 153.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.48 122.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.44 142.3 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -167.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.32 93.2 3.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.957 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -123.57 121.25 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.235 -165.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.623 HG22 HG22 ' A' ' 420' ' ' THR . 0.2 OUTLIER -97.26 126.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -172.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.58 175.26 10.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.02 79.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.3 -20.79 60.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.48 24.06 17.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.1 139.61 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 157.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.07 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 167.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -73.99 110.45 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.597 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 438' ' ' ILE . 63.9 t -104.6 132.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 172.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 87.8 p -147.42 150.27 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.18 54.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 170.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -133.23 117.79 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -95.45 118.8 32.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -170.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -74.45 -24.7 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -76.77 -53.95 7.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 10.2 t -88.06 -24.86 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -168.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 85.3 8.29 81.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.42 157.67 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 4.5 pt-20 -148.28 151.71 35.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 161.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -166.3 142.9 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -135.82 156.99 47.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -158.614 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.618 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -147.1 123.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -174.463 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.618 ' N ' HD13 ' A' ' 499' ' ' ILE . 13.4 p -102.2 127.26 49.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.438 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -136.56 139.14 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 176.148 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -68.86 140.53 55.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -122.74 18.19 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 161.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 65.0 p -99.63 -72.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 151.01 39.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -82.33 164.76 44.12 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -170.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 507' ' ' LEU . 2.5 tm? . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.429 0.723 . . . . 0.0 109.29 174.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 2.5 m 62.73 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.95 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 442' ' ' GLN . 0.6 OUTLIER -154.73 101.15 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 165.013 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -110.76 -177.21 20.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.406 HD11 ' CZ ' ' A' ' 426' ' ' PHE . 13.6 pt -130.94 165.31 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 166.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -78.74 90.92 4.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.299 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 32.7 p -82.66 168.67 17.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.8 ttm -48.62 126.23 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.445 1.091 . . . . 0.0 110.958 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 121.31 -27.23 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -170.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 89.41 32.38 10.47 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.58 134.17 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.331 -163.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 39.3 ttp -74.12 92.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.059 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 49.4 m -83.31 106.59 15.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 25.1 m -74.55 96.36 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 167.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.26 -43.51 94.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 173.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.8 pt -143.93 134.19 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -89.25 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.82 149.21 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.7 t30 56.14 44.31 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 -161.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 20.6 m -39.77 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 162.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 8.1 t -175.54 43.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 162.17 39.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 -140.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.968 -20.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.4 t -156.12 172.5 18.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -149.12 91.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -160.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -89.22 84.06 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.554 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 95.3 p -88.0 149.63 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 110.063 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 56.5 51.26 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.296 172.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.13 -55.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' A' ' 401' ' ' ILE . 59.7 t80 -89.58 151.33 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 428' ' ' THR . 37.9 t -142.74 -162.86 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.407 ' N ' ' OG ' ' A' ' 427' ' ' SER . 0.7 OUTLIER -78.12 74.65 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.366 -178.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.9 70.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.16 133.83 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -26.09 63.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -156.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.14 -32.57 74.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 48.67 41.49 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 72.2 m -125.12 -56.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -125.85 131.72 52.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.53 134.86 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.07 99.04 4.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 110.401 -169.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.449 HG21 HG11 ' A' ' 486' ' ' VAL . 2.5 mp -92.22 94.34 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -70.75 105.26 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 162.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.77 123.5 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -166.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 453' ' ' SER . 0.0 OUTLIER -167.83 173.28 8.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -175.524 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.472 ' HB3' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -150.97 160.09 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.332 -154.685 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -145.36 14.16 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -152.11 43.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 110.29 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -137.25 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 170.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.48 -53.25 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -166.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -87.18 136.6 32.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -162.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.09 81.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.27 9.78 24.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.87 45.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 167.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.83 167.69 24.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 162.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 99.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 -167.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 441' ' ' LEU . 74.5 p -52.95 146.82 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.951 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.51 32.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -171.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 85.84 -156.31 29.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -173.95 142.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -170.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.67 142.85 33.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -136.94 162.61 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 38.2 tp -151.63 139.39 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.12 104.45 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 175.38 52.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.8 mp -122.46 137.98 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 0.803 . . . . 0.0 109.249 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -87.79 134.57 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.366 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -42.0 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.6 157.65 74.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.23 10.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 167.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.78 99.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 167.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 142.45 -23.87 2.35 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.571 1.169 . . . . 0.0 111.033 -168.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 63.8 mtt 53.9 62.79 8.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.974 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.89 42.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.584 1.834 . . . . 0.0 110.987 -165.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -157.69 133.29 9.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.618 1.199 . . . . 0.0 110.21 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -143.7 121.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -165.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -118.02 100.03 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.67 100.21 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.27 137.39 50.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.93 89.84 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 155.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.77 117.87 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -156.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.4 tt -111.65 128.68 68.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -167.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -94.6 167.32 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.62 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.61 -18.2 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.79 22.42 25.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.62 139.98 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 tp -89.74 117.07 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 166.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -80.11 121.9 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.583 160.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.449 HG11 HG21 ' A' ' 438' ' ' ILE . 59.1 t -115.08 114.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 72.6 p -140.87 113.27 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -159.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -91.67 103.94 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -92.46 100.81 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -74.81 104.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -168.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.18 -44.15 16.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.246 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 24.3 t -80.34 -26.01 38.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.23 70.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.02 155.99 27.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 0.0 109.257 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.16 126.58 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 158.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -134.37 150.46 50.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.23 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 111.55 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -160.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.638 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -100.6 123.26 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 177.528 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.638 ' N ' HD13 ' A' ' 499' ' ' ILE . 25.6 p -101.66 127.74 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.69 118.84 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 178.637 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -52.48 147.39 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.72 95.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.98 -173.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 168.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 m -121.12 -58.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 59.71 -135.71 50.75 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.208 -1.119 0 O-C-N 124.535 0.786 . . . . 0.0 109.304 -165.694 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 17.9 m -52.76 102.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' A' ' 440' ' ' VAL . 26.1 tp -96.28 115.97 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -116.25 176.33 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.634 HG21 ' CE1' ' A' ' 476' ' ' PHE . 22.2 pt -118.8 144.13 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.263 -176.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.84 112.56 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.8 OUTLIER -133.99 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.378 -167.461 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 404' ' ' MET . . . . . 0.523 ' C ' ' O ' ' A' ' 403' ' ' THR . 7.8 tpt 1.1 90.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -150.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 99.89 -63.86 0.65 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 166.09 58.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.71 136.52 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 166.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 11.9 ttt -75.45 89.65 2.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -73.4 87.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 110.369 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 61.6 m -61.57 87.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 156.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 411' ' ' LEU . 9.6 tt -110.62 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 170.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 412' ' ' ILE . 0.1 OUTLIER -79.86 65.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 177.186 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.9 169.94 10.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -69.33 -23.75 63.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -103.09 29.6 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -173.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.466 HG22 HG21 ' A' ' 420' ' ' THR . 60.4 m -79.53 60.31 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 175.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 9.4 m 45.29 42.39 7.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.172 . . . . 0.0 110.408 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 419' ' ' PRO . 0.0 OUTLIER -42.74 142.38 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 174.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.05 157.84 99.32 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.941 -13.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.466 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -158.31 160.49 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 167.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.87 87.29 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -161.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.57 161.77 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -167.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.4 m -130.2 -67.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 161.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 43.74 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 10.9 p -46.45 125.56 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -166.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' A' ' 401' ' ' ILE . 17.9 m-85 -87.67 157.52 19.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 68.5 m -66.83 116.18 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.939 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.6 p -78.84 88.28 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.07 78.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -138.32 114.03 9.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.28 -26.29 62.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -165.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -69.44 -18.9 63.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 52.44 67.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 29.5 t -159.5 -52.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 -162.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -129.95 176.97 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.29 136.48 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 70.9 p -125.11 120.68 32.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.408 1.067 . . . . 0.0 110.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.57 HG21 HG11 ' A' ' 486' ' ' VAL . 1.2 mp -113.33 125.54 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 174.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 149.25 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 140.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.604 ' CG1' HG22 ' A' ' 401' ' ' ILE . 0.0 OUTLIER -115.07 135.61 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 162.002 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 146.81 48.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -165.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -128.71 155.17 45.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 155.29 -95.94 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 111.08 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -159.13 44.67 0.26 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 110.34 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 446' ' ' LYS . 6.1 ttt180 63.11 -165.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 172.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 445' ' ' ARG . 3.2 ttpt 82.3 -161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -59.77 139.01 57.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.08 75.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -167.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.13 -6.3 58.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.03 164.3 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -173.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -69.54 121.02 16.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 5.0 p -94.03 141.47 28.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.022 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.67 56.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -168.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.17 113.26 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -109.24 142.05 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.47 162.74 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.73 164.97 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 48.5 tp -148.42 136.65 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 167.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -96.8 151.17 19.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 109.37 44.53 1.07 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.069 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -78.24 168.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 0.725 . . . . 0.0 109.254 172.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -126.31 84.41 62.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -169.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 75.73 3.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 466' ' ' PRO . . . -162.83 164.02 16.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 465' ' ' ALA . 18.5 Cg_endo -74.97 -41.69 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 173.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 85.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 160.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 100.99 36.58 3.89 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' MET . . . . . 0.413 ' N ' ' HD2' ' A' ' 470' ' ' PRO . 8.5 mtt -59.83 -43.49 95.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 110.997 152.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -75.0 -166.43 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 155.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 68.81 27.03 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 5.6 tp -158.03 135.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -137.28 146.35 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.24 108.72 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 159.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 137.85 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' PHE . . . . . 0.634 ' CE1' HG21 ' A' ' 401' ' ' ILE . 61.0 m-85 -140.45 98.46 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.985 168.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.97 122.97 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -148.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 484' ' ' LEU . 1.1 tp -115.7 119.01 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -177.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -94.71 174.58 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.64 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.52 -18.07 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 92.29 12.61 58.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 172.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.58 139.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.556 0.797 . . . . 0.0 109.32 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -81.09 108.76 15.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 168.232 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -82.96 109.84 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 161.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.57 HG11 HG21 ' A' ' 438' ' ' ILE . 92.3 t -111.99 141.65 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.262 170.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 82.6 p -162.34 167.75 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.431 1.082 . . . . 0.0 109.905 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.24 142.69 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 168.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.64 116.09 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -86.33 114.09 22.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -77.98 -27.75 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 -171.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -70.6 -46.35 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 22.3 t -88.95 -23.39 22.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.19 10.66 70.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -80.57 158.53 25.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.09 153.99 33.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 164.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -159.26 141.39 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -157.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' ILE . . . . . 0.527 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.54 118.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -172.572 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.527 ' N ' HD13 ' A' ' 499' ' ' ILE . 16.8 p -111.24 126.94 55.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.467 -175.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.95 128.93 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -62.67 -44.41 96.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 42.56 79.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -169.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 97.5 p -152.06 142.77 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 18.2 t 60.06 -170.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -79.15 -33.98 34.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 66.6 tp . . . . . 0 C--O 1.208 -1.095 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 -177.613 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 73.8 m -49.89 151.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 158.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' LEU . . . . . 0.582 HD21 HG13 ' A' ' 501' ' ' ILE . 46.5 tp -144.81 76.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -80.49 -173.52 46.68 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ILE . . . . . 0.448 HG22 ' CG1' ' A' ' 440' ' ' VAL . 0.9 OUTLIER -130.55 160.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.239 -173.644 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.61 88.19 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.251 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 404' ' ' MET . 2.5 p -79.98 160.34 25.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 174.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 403' ' ' THR . 11.0 mmt 2.4 95.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -144.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . -42.4 110.51 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -148.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 161.19 -43.06 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.24 144.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.9 ttt -92.31 151.45 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.942 -168.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 63.5 m -134.04 108.93 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.398 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 73.3 m -71.54 79.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 165.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.465 HD22 ' CZ ' ' A' ' 426' ' ' PHE . 2.6 pp -70.17 -31.29 68.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 170.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -112.5 137.94 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -175.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -119.32 171.58 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -78.61 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.6 23.09 13.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' THR . . . . . 0.504 HG22 HG21 ' A' ' 420' ' ' THR . 2.6 m -78.13 11.78 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.421 171.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 54.9 m 83.29 -53.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 148.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 419' ' ' PRO . 47.9 mt 76.32 145.13 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 159.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' PRO . . . . . 0.541 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.98 167.04 81.64 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.075 -2.469 . . . . 0.0 111.008 -13.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.504 HG21 HG22 ' A' ' 416' ' ' THR . 5.2 t -167.16 165.82 15.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.449 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -128.61 119.49 24.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.364 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -114.54 75.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.8 t -77.03 -54.09 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -170.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 57.3 -167.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.3 86.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.465 ' CZ ' HD22 ' A' ' 411' ' ' LEU . 87.7 m-85 -85.05 121.54 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 44.8 m -60.22 134.25 56.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.0 m -79.01 93.41 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.385 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.95 77.41 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -145.02 115.33 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -157.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.13 -3.96 58.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 52.66 38.56 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.2 m -116.49 -48.1 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -128.89 -178.58 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.5 p -135.72 144.61 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 167.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -123.96 126.42 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.36 169.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 137.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 172.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.05 139.35 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 153.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' VAL . . . . . 0.507 ' HB ' HD11 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -112.27 129.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 169.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 150.68 44.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -167.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.84 146.64 41.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -172.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 128.41 -98.76 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -171.89 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 110.31 163.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -165.2 35.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 -160.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -132.53 -56.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.248 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 128.04 56.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -175.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.23 92.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -174.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.91 -11.06 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -164.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.14 27.24 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -137.25 157.63 46.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -76.57 119.48 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -168.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 88.1 p -75.7 157.69 33.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -172.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.539 ' O ' HD13 ' A' ' 454' ' ' LEU . 0.9 OUTLIER -163.0 66.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 113.8 113.56 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 151.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -102.33 146.19 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 110.363 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.23 146.83 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.923 167.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -145.08 153.45 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.24 136.86 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -83.97 144.2 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 174.69 -42.7 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -163.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.41 141.68 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -176.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -107.21 123.85 37.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -163.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 168.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . 178.98 158.95 0.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -171.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 44.84 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 167.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -82.68 105.14 13.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -167.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.27 32.03 68.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 49.41 61.99 12.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.007 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.67 32.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 -161.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -163.44 136.42 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.65 106.01 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -169.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -101.71 107.51 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.49 98.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.9 m -78.74 143.6 36.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.63 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 168.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -120.64 123.38 42.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -162.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.5 tt -80.78 127.3 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.06 170.28 16.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.43 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.88 -16.77 61.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.56 8.09 58.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.5 mt -74.94 141.16 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.246 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.524 ' HG ' HD23 ' A' ' 399' ' ' LEU . 3.8 mm? -81.65 98.66 8.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 166.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 118.43 12.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.617 155.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 88.2 t -121.72 134.37 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 166.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -150.08 151.2 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 -170.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -119.48 121.53 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.226 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -112.09 117.69 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 -170.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.8 120.42 31.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -15.72 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 173.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.75 -57.7 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.5 t -97.17 -27.24 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.977 -168.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.39 10.4 70.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -80.29 145.73 31.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.297 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -138.44 93.38 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -84.43 137.02 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 152.06 51.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -161.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.3 136.74 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 175.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 3.0 p -122.81 114.65 20.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.404 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ILE . . . . . 0.582 HG13 HD21 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -126.0 141.97 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 -172.236 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -92.09 -57.91 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -157.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 58.92 50.77 8.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 167.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 17.9 t -110.36 48.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.2 t 56.47 76.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 171.11 -46.82 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.925 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.208 -1.085 0 O-C-N 124.472 0.748 . . . . 0.0 109.354 -172.804 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 49.2 m -54.12 136.92 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.493 HD23 HD13 ' A' ' 484' ' ' LEU . 8.9 tp -140.98 107.37 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -106.74 175.8 21.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.6 pt -118.53 168.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 0.723 . . . . 0.0 109.303 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.59 108.97 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 17.3 p -102.68 176.5 5.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.434 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.5 ttm -48.71 127.82 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 100.24 25.72 8.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 170.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 61.36 36.14 92.03 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.12 140.51 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -76.89 144.02 39.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.5 m -135.0 119.18 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 167.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 42.2 m -71.79 80.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 170.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 60.6 mt -83.75 -10.91 57.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.02 142.77 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -115.97 166.35 12.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -166.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -54.34 -44.6 72.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -111.35 50.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.377 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 420' ' ' THR . 87.6 m -76.42 61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 170.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.5 m 40.33 59.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 162.48 57.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -168.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 164.32 88.62 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 120.95 -2.521 . . . . 0.0 110.975 -21.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 416' ' ' THR . 15.3 t -160.07 174.79 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -150.83 96.54 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -101.08 142.49 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 73.3 p -146.45 69.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 425' ' ' VAL . 0.3 OUTLIER -174.44 174.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -175.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 424' ' ' GLN . 12.0 m 32.57 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 -167.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.591 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 0.3 OUTLIER -145.4 106.81 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 173.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 48.9 m -143.12 153.66 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -173.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -79.86 132.08 36.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.61 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -164.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -84.88 88.17 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -161.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -67.84 -30.94 70.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.45 0.61 57.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -166.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -114.04 -172.21 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.29 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 p -130.74 43.44 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 158.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.17 167.22 30.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -172.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 4.8 p -109.82 143.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 68.4 p -138.68 94.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -80.06 132.98 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -116.62 135.63 53.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 166.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 440' ' ' VAL . 0.9 OUTLIER -102.91 117.25 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -169.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 8.7 mt -118.35 103.49 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -162.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.82 139.42 38.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 114.88 157.17 11.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -103.61 108.83 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.53 136.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -171.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -64.47 -61.64 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.252 -169.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -67.0 139.75 57.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.86 60.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.76 -8.7 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.61 15.13 23.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -131.72 152.74 50.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.56 94.44 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -159.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 96.6 p -75.51 146.95 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 109.982 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -148.2 13.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 174.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -166.88 142.0 7.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -160.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -165.85 154.63 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.285 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 148.89 26.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 111.082 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.95 158.1 42.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -168.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 497' ' ' GLN . 39.4 tp -154.86 130.34 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.86 151.01 24.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.55 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.44 151.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -168.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 176.307 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -135.1 129.26 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -164.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -135.11 131.72 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 426' ' ' PHE . 21.3 t -110.9 132.3 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.66 145.78 37.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 54.2 m-85 -105.13 94.42 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.56 121.75 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.415 HD11 HD12 ' A' ' 484' ' ' LEU . 0.3 OUTLIER -104.89 129.32 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 178.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.93 175.23 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.28 94.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.218 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.87 -17.61 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 96.21 23.8 16.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.8 mt -73.5 131.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.493 HD13 HD23 ' A' ' 399' ' ' LEU . 0.4 OUTLIER -81.18 105.61 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 171.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -93.1 92.1 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.17 127.03 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -172.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 47.0 t -139.43 127.41 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.97 -158.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -113.68 133.33 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -134.53 115.58 14.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -96.13 110.01 22.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -78.09 -25.07 47.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -76.23 -48.93 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 28.0 t -82.82 -24.97 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.27 70.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.29 141.14 35.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.273 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.42 140.21 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 154.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . 0.464 ' HB2' HD13 ' A' ' 459' ' ' LEU . 0.4 OUTLIER -154.45 134.81 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 172.002 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -150.27 154.28 37.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.244 -163.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.88 134.74 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -165.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 12.4 p -111.65 126.73 55.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.04 124.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -56.86 159.2 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -133.72 57.09 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.322 169.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 81.0 p -156.89 159.44 38.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 41.0 t 51.47 81.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.769 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.7 m -60.84 93.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 166.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 400' ' ' GLY . 6.8 tt -79.89 127.41 32.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 171.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . 0.518 ' N ' HD23 ' A' ' 399' ' ' LEU . . . -141.2 145.84 16.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.062 169.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -92.96 165.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.47 92.72 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.5 p -91.8 146.98 23.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.3 ttm -50.24 133.77 23.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -162.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.95 -17.12 6.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 82.11 31.46 31.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -173.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 13.1 p -140.88 131.92 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -77.49 154.09 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 93.8 m -130.69 113.01 13.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 172.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 63.2 m -65.35 73.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 163.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.53 -19.31 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.3 tt -140.4 149.66 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -139.77 166.93 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -164.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -75.65 -7.91 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.38 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -120.51 60.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 168.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.593 HG22 HG21 ' A' ' 420' ' ' THR . 51.1 m -113.8 60.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.182 . . . . 0.0 110.339 164.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 89.4 m 67.18 -75.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.456 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 29.2 mt 60.78 92.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.3 Cg_endo -75.11 165.53 85.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 20.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.593 HG21 HG22 ' A' ' 416' ' ' THR . 8.8 t -163.35 -178.66 6.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 150.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.65 122.9 15.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -124.67 155.99 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 32.1 t -149.52 51.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -58.63 155.59 12.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.3 134.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -144.12 82.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -60.26 144.92 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.06 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 5.6 p -79.01 123.84 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.58 -6.48 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 -167.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.65 80.26 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 168.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -68.9 -27.02 65.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 109.303 -166.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -71.95 -26.72 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -92.49 135.93 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.238 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 m -82.58 63.13 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.22 172.56 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.3 p -129.6 136.67 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -121.3 110.52 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.374 -172.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.23 134.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.373 170.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -137.91 107.57 6.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 56.0 t -74.31 134.48 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.263 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.92 160.41 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 168.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -156.1 158.42 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.333 165.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 145.18 -142.08 10.47 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.517 1.136 . . . . 0.0 111.06 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -145.32 39.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.19 117.82 16.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 168.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.25 -39.33 68.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 -164.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -61.57 119.19 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.18 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -150.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.84 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.79 -2.14 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -105.07 162.52 13.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -68.63 137.28 54.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 36.7 p -78.29 152.13 32.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 8.1 tp -152.1 53.41 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 77.29 171.57 35.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.31 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.92 137.43 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -177.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -141.72 153.77 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.71 143.98 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.0 175.63 6.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -168.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.74 21.8 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.35 162.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.372 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 171.572 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -137.37 110.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -97.81 126.0 42.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 163.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 48.2 t -108.41 83.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 152.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 6.5 m -68.79 116.21 9.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -93.34 88.57 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.22 120.77 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -163.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tt -104.75 124.06 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.81 167.19 21.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.18 -27.97 69.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.93 -18.0 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.22 13.62 51.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.6 mt -80.52 137.93 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 168.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.436 HD12 HD22 ' A' ' 399' ' ' LEU . 0.2 OUTLIER -87.68 96.99 10.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 171.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -77.06 95.71 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 109.56 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.423 HG23 HD22 ' A' ' 484' ' ' LEU . 56.8 t -96.56 125.31 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 152.45 46.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.08 140.84 46.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.437 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 1.0 OUTLIER -146.99 113.71 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -174.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.65 123.33 39.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.242 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -76.06 -16.13 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 168.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.91 -55.89 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.7 t -102.86 -21.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.72 10.16 70.44 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -80.98 154.7 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.378 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . 0.437 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 19.6 pt-20 -160.07 155.91 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 168.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.04 179.8 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.69 155.17 46.55 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 -159.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.592 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -148.11 122.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 170.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.592 ' N ' HD13 ' A' ' 499' ' ' ILE . 11.6 p -102.38 129.58 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.02 124.58 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -68.8 159.21 32.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 172.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -153.66 144.5 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 4.2 t 63.54 -179.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -160.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 16.1 m 51.63 45.2 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.107 -174.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 58.5 m -51.08 112.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 399' ' ' LEU . 9.7 tt -81.79 133.2 35.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.371 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.94 159.91 28.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 166.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.6 pt -109.63 165.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.376 0.692 . . . . 0.0 109.302 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.93 84.85 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 426' ' ' PHE . 5.6 p -79.4 178.19 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.451 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 43.4 mtt -42.28 120.25 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 116.07 -19.4 13.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 85.39 41.51 7.36 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.79 139.24 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -74.58 106.73 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 98.5 m -97.55 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.345 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 97.0 m -65.41 82.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 164.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 411' ' ' LEU . 3.4 tm? -67.9 -53.57 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 171.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.21 133.73 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -90.78 157.46 17.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 109.329 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.0 111.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 62.47 63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -174.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 417' ' ' THR . 90.8 m -69.87 63.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 167.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 416' ' ' THR . 36.2 m 40.72 67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.6 pt -72.41 163.53 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -165.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.74 87.72 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -23.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 11.6 t -164.73 162.34 21.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -118.12 143.66 46.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -131.04 119.5 22.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.585 166.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 7.1 p -92.45 125.25 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.963 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.66 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 49.9 t -114.68 127.42 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.459 ' CD1' HG22 ' A' ' 403' ' ' THR . 0.1 OUTLIER -163.41 39.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 173.699 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.1 p -133.15 27.53 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 39.2 p -128.49 63.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.473 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.09 -46.97 31.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -93.4 116.73 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.08 -34.45 76.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.03 -41.26 97.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.48 102.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 48.9 m -81.1 60.61 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -161.03 172.58 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.275 -174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 5.1 m -114.12 147.31 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 152.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.2 p -137.26 96.12 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.405 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.9 mp -100.94 129.54 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -109.81 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.555 158.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.34 129.96 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.53 163.74 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 174.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -145.76 140.48 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 166.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 161.52 -157.43 29.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.77 38.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 447' ' ' ARG . 5.2 mtm180 -119.0 10.89 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -170.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 68.44 -76.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.275 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 445' ' ' ARG . 6.6 mtp-105 -65.64 138.78 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.223 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -24.11 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.233 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.18 -9.9 58.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.32 0.01 24.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.41 148.14 31.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -160.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -81.02 110.92 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -166.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 31.1 p -79.59 147.71 31.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.54 21.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 175.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -179.8 147.63 7.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -165.6 148.89 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.365 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -164.56 161.32 21.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.963 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -136.19 170.13 16.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 16.6 tp -142.61 101.92 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 160.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.14 150.42 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 82.11 27.16 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -172.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 472' ' ' ILE . 5.2 tt -74.7 144.41 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -166.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 462' ' ' ILE . 1.8 tp -97.5 140.19 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 165.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -137.44 102.61 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.71 96.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.213 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.2 m -74.02 140.2 45.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -117.46 91.1 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 160.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -110.51 119.63 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.19 124.24 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -173.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.8 168.21 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -167.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.12 77.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.96 -17.55 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 94.64 18.84 33.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 483' ' ' ILE . 2.1 mp -95.27 139.43 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 17.2 tp -88.79 113.95 24.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 168.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -87.04 114.9 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.569 167.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.32 130.71 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 88.3 p -149.9 131.57 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.56 102.17 14.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -100.67 107.88 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.5 116.64 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -77.06 -25.43 52.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.351 -171.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -84.91 -48.66 9.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.37 1.044 . . . . 0.0 109.268 -173.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 32.7 t -74.27 -30.75 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.57 84.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -81.23 148.99 29.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -138.33 119.93 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 167.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -102.93 126.86 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -102.83 151.65 22.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 -164.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.656 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.47 124.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 162.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.656 ' N ' HD13 ' A' ' 499' ' ' ILE . 22.5 p -98.98 128.35 45.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -135.49 137.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 174.406 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -59.15 161.23 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.26 156.64 48.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 3.3 t 74.05 115.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.1 t 60.26 -166.96 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -178.457 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 38.6 m -68.94 121.65 17.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 400' ' ' GLY . 6.8 tt -86.97 135.28 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . 0.601 ' N ' HD23 ' A' ' 399' ' ' LEU . . . -145.41 143.86 12.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 172.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.461 HD13 ' CE1' ' A' ' 476' ' ' PHE . 1.7 pt -95.27 151.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -172.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -79.56 116.85 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.315 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . 0.434 HG23 HG13 ' A' ' 401' ' ' ILE . 26.6 p -114.17 169.48 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.414 166.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 36.7 ttm -50.51 138.28 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 114.39 -14.49 20.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 68.75 42.52 79.15 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.91 137.59 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -167.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 9.5 ttt -79.41 99.58 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 111.09 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 84.8 m -75.27 88.97 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 55.6 m -70.19 76.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.751 HD22 ' O ' ' A' ' 411' ' ' LEU . 0.0 OUTLIER -82.08 -5.7 58.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -177.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.86 149.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.241 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.2 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -50.2 -37.86 37.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -111.42 61.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -175.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.53 HG22 HG21 ' A' ' 420' ' ' THR . 37.8 m -92.62 46.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 57.2 m 61.31 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 416' ' ' THR . 2.6 mt 67.18 132.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.312 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.46 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.0 158.41 99.02 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.991 -1.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.53 HG21 HG22 ' A' ' 416' ' ' THR . 8.0 t -164.63 169.48 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.419 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -135.44 130.56 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -126.62 152.22 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.0 p -163.01 171.69 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.079 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 65.01 174.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 2.9 t 56.87 36.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -159.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -148.62 150.91 34.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.4 m -175.68 176.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -167.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.1 p -77.53 74.06 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.25 77.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.02 130.25 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -161.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 52.31 50.5 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.356 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 49.7 m -160.19 -51.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -106.03 167.1 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.7 p -131.84 118.29 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 7.5 t -101.02 135.54 42.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 172.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.3 mp -118.6 127.88 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 163.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.52 109.08 19.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.594 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.8 131.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 3.1 mt -120.68 167.52 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 166.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.77 139.46 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 153.73 -134.15 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.02 41.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.31 160.09 34.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.62 -56.28 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -85.6 146.35 26.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -80.77 -15.46 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -160.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.34 -9.45 58.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.32 12.28 18.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.354 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.07 148.55 42.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.264 -169.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.78 142.7 32.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -169.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 11.8 p -80.52 160.92 25.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -174.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.21 48.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 163.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 64.57 -167.21 29.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -155.6 163.75 39.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.246 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.75 143.42 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 168.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.13 137.92 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.6 148.29 30.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 172.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.61 163.83 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.273 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.61 -43.78 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.33 144.05 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -170.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 177.797 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.11 137.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -171.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -126.33 139.35 53.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 157.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 114.98 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 161.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 2.3 m -86.93 147.34 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 401' ' ' ILE . 93.5 m-85 -138.83 89.1 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -133.8 124.29 26.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -157.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.6 tt -101.4 132.65 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.387 1.055 . . . . 0.0 109.353 -169.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.84 172.69 8.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.18 77.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.32 -17.02 63.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 19.39 30.93 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 483' ' ' ILE . 1.9 mp -92.36 134.24 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 109.285 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.3 tp -82.4 110.89 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.366 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -81.5 120.13 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.643 164.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 72.1 t -120.33 133.35 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -153.29 155.58 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 -171.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.76 141.89 51.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -131.84 111.07 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.52 125.27 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -173.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 169.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.97 -56.58 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.329 -170.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.8 t -99.94 -11.27 20.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.934 -171.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 79.24 10.56 85.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -77.29 157.08 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.361 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -148.27 131.43 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 162.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -129.97 139.83 51.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 146.45 49.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 130.76 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.3 p -111.02 126.63 55.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.398 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.73 132.27 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -177.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -79.69 138.83 37.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -86.06 63.18 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 14.8 t -171.39 142.13 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 26.9 t -162.35 -58.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 40.4 m -60.32 141.72 55.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 400' ' ' GLY . 0.6 OUTLIER -102.51 117.39 34.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -177.347 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . 0.519 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -126.12 -179.64 15.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 4.5 pt -131.91 163.87 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.355 173.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -77.91 126.98 31.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.84 164.41 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.391 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.6 ttm -52.23 124.89 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -163.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.73 -22.59 4.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.32 33.31 14.43 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -173.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.1 146.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -168.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.95 152.47 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.2 m -127.33 125.5 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 164.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 36.0 m -67.73 73.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -38.77 92.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.24 152.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.231 170.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -124.57 168.53 12.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 176.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -54.67 -42.51 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -175.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -121.22 60.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 418' ' ' ILE . 46.2 m -76.76 50.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 167.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.1 m 52.64 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 -160.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.482 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 45.8 mt 67.09 130.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -176.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.93 158.08 99.2 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.089 0.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.447 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -160.92 166.28 28.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.477 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -144.46 127.14 16.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -163.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -151.44 160.68 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 424' ' ' GLN . 84.6 p -145.15 -89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 173.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . 0.762 ' O ' HG12 ' A' ' 425' ' ' VAL . 33.4 tt0 54.69 39.84 31.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 424' ' ' GLN . 2.1 p 62.92 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 158.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -154.19 135.75 14.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.8 m -67.41 129.57 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -165.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.39 68.42 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 166.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.17 70.98 10.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.84 105.34 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.32 -22.62 54.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -171.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.65 -29.16 69.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -162.96 134.79 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.5 p -71.11 73.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -144.17 130.62 19.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.5 136.25 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 437' ' ' THR . 15.2 t -132.73 116.27 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.8 mp -94.22 102.23 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.182 . . . . 0.0 109.262 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -80.48 102.66 9.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 161.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -89.31 130.42 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -163.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.11 141.2 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -112.77 132.27 55.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 156.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.71 174.05 17.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.568 1.168 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.22 51.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.253 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 42.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -171.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 63.4 -89.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.96 134.07 44.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -168.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.36 80.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -163.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.99 -8.23 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -106.72 5.03 28.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.78 162.75 16.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -79.66 84.11 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 55.1 p -68.51 156.64 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.59 46.3 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.17 -160.83 14.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -164.12 160.08 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.252 -172.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.18 138.71 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 173.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -128.39 163.39 24.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -146.74 119.37 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 173.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -97.51 151.13 20.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -161.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.2 44.93 4.89 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.52 87.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -173.853 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 7.0 tp -78.98 135.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 162.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -119.41 102.15 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.382 169.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.86 119.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 167.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . 0.489 ' OG1' ' NZ ' ' A' ' 489' ' ' LYS . 79.0 m -97.67 145.25 26.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.453 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.43 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -125.65 124.38 41.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.7 tt -113.47 128.23 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -170.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.55 -179.6 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.7 70.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -171.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.84 -18.01 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.48 45.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.31 129.12 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 119.62 23.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 170.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -92.83 104.23 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.591 172.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.41 114.88 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.5 p -146.71 144.69 29.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -163.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -132.23 127.67 36.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.489 ' NZ ' ' OG1' ' A' ' 475' ' ' THR . 14.4 pttm -143.58 110.57 5.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -167.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.06 118.66 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -76.07 -15.76 60.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -81.38 -51.91 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.6 t -92.56 -24.68 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -167.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.77 69.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -71.26 152.18 43.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.65 134.35 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 166.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -142.61 157.24 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 164.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.82 147.06 34.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -169.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -136.77 127.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 175.163 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.611 ' N ' HD13 ' A' ' 499' ' ' ILE . 18.0 p -106.99 129.15 54.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.426 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.93 137.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.62 1.2 . . . . 0.0 109.28 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -64.93 137.15 57.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -103.22 51.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 45.3 t -165.23 -50.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 93.1 p -132.05 62.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 178.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 50.8 m -78.04 134.96 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -164.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 400' ' ' GLY . 1.9 tm? -85.14 128.22 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -142.76 177.34 21.87 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.443 1.09 . . . . 0.0 111.036 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.65 171.23 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 109.331 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.77 135.7 36.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 165.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.8 p -131.7 175.74 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 171.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 26.8 tpp -48.86 136.9 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -168.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 107.57 -2.67 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 67.86 35.54 85.03 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.1 129.31 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.239 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 4.2 ptm -85.67 151.73 23.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -163.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -104.97 113.11 26.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 67.5 m -66.88 71.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 162.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.456 HD11 HD11 ' A' ' 484' ' ' LEU . 0.8 OUTLIER -70.66 -29.2 65.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -175.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.21 138.09 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -107.86 164.56 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -54.78 114.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 4.0 t30 62.78 61.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.491 HG22 HG21 ' A' ' 420' ' ' THR . 94.3 m -72.55 63.43 0.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 168.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 416' ' ' THR . 1.9 t 33.76 59.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 174.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.7 pt -67.78 160.67 72.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.88 89.69 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.982 -17.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.491 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -162.17 170.33 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -141.19 136.75 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -169.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -129.14 159.17 36.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.611 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.3 p -163.31 161.12 24.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . 0.421 ' O ' ' HB ' ' A' ' 425' ' ' VAL . 1.2 tt0 62.08 -167.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 173.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 424' ' ' GLN . 21.8 t 72.22 -58.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.413 ' CE2' ' CZ ' ' A' ' 476' ' ' PHE . 16.2 p90 -128.64 143.38 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 156.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 2.3 m -171.46 -63.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 44.2 p -134.1 39.84 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.88 77.3 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -151.49 126.84 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -163.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.54 -19.08 62.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -162.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -52.15 -46.97 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.226 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 46.21 56.85 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 m -163.59 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -134.43 146.58 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 170.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.91 132.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 20.0 p -123.91 98.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.84 126.37 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.64 114.61 23.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.642 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.14 131.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -171.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.13 142.28 51.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -113.51 124.28 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.283 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 173.22 -126.1 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -166.95 75.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 70.89 -169.72 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 158.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 68.41 -160.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.614 1.196 . . . . 0.0 109.293 -175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -68.01 144.16 55.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 -172.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.04 65.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.35 -11.59 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -96.12 -10.38 28.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -115.26 151.14 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -167.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -87.35 110.3 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.301 -158.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 13.6 p -71.86 144.32 49.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.665 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.82 14.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 171.347 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -161.39 136.85 4.61 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -158.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -157.03 139.46 14.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.803 . . . . 0.0 110.317 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.53 145.84 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -139.25 160.28 40.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 -169.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 13.2 tp -156.89 142.4 17.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.85 150.91 23.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -166.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.56 34.21 1.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 35.0 mm -85.65 78.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.256 164.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.2 t30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -166.253 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.31 137.26 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 -168.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -144.45 142.02 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.253 167.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.01 108.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 97.6 m -88.37 145.17 25.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 -172.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.413 ' CZ ' ' CE2' ' A' ' 426' ' ' PHE . 92.2 m-85 -128.75 89.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 174.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.95 122.84 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.6 tt -102.98 129.99 53.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -95.91 179.58 5.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.57 70.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -172.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.14 -18.05 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.04 20.73 52.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.7 mt -96.25 138.99 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 168.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.47 HD13 HD12 ' A' ' 399' ' ' LEU . 0.4 OUTLIER -85.87 119.15 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 172.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -92.16 110.52 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.523 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 73.6 t -107.11 116.41 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 4.6 m -137.47 139.7 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -162.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.45 145.0 49.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -141.1 104.4 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.12 124.68 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -68.34 -33.19 73.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 169.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -70.0 -46.57 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.319 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 4.8 t -90.83 -20.33 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.23 3.14 82.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.909 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -81.75 151.11 27.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 109.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -143.97 145.76 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 158.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.38 164.11 27.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -140.29 147.32 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.5 135.78 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 170.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 34.6 p -116.64 120.8 39.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 110.377 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.81 125.44 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -175.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.81 145.77 44.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -117.84 102.36 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 47.1 t -71.11 87.26 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 58.4 m -76.77 71.42 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 172.587 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 43.7 t -43.76 115.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.053 175.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 399' ' ' LEU . 2.1 tm? -94.91 119.94 34.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -170.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -138.26 -172.28 12.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.939 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.68 172.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.331 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 121.23 24.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 161.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 2.7 p -112.06 173.8 6.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 59.4 mtm -49.59 143.0 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -163.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 92.6 1.52 68.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.412 1.07 . . . . 0.0 111.038 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.69 60.39 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.41 137.66 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.23 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.46 148.27 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -141.29 120.57 13.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 22.8 m -79.9 117.55 20.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 156.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.825 ' O ' HG23 ' A' ' 412' ' ' ILE . 0.0 OUTLIER -115.23 1.43 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -172.361 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 411' ' ' LEU . 3.0 pt -157.52 151.65 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 147.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -91.39 170.12 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -168.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 415' ' ' ASN . 20.1 mmtt -38.81 130.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 414' ' ' LYS . 51.5 t30 80.66 -61.99 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 174.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 417' ' ' THR . 85.9 m 37.26 60.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.453 -161.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 416' ' ' THR . 57.0 m 40.38 76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.44 157.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.8 pt -67.47 173.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -163.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.97 -39.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.429 HG21 HG22 ' A' ' 416' ' ' THR . 7.7 t -166.34 159.0 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.64 135.3 46.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -175.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -137.16 163.52 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.637 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.0 t -145.97 -71.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -85.34 63.1 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 426' ' ' PHE . 11.0 m -90.19 -24.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' HG23 ' A' ' 425' ' ' VAL . 0.9 OUTLIER -153.38 39.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 157.175 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 7.2 p 58.48 -165.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 20.6 m -78.69 71.32 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 169.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.31 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -156.79 98.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -166.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -67.39 -28.19 67.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.51 -40.35 96.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -174.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 46.45 70.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 -168.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.15 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -169.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -158.67 129.31 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -174.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 436' ' ' VAL . 30.8 m -78.41 91.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 28.0 p -87.21 89.89 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.2 mp -80.83 102.07 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.386 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.43 110.35 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 160.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.48 124.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.76 150.42 36.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -166.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -133.09 165.63 24.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 149.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.62 -175.97 42.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -147.94 131.34 16.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 0.764 . . . . 0.0 110.246 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.0 21.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 166.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.6 tttm 68.76 -70.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -169.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -74.73 134.81 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.9 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.07 -8.91 59.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -162.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -107.11 0.1 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -92.29 161.16 14.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.25 82.59 6.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 19.8 m -64.24 158.95 21.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 34.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 127.11 -167.09 19.65 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -161.17 161.95 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.294 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.14 148.0 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 170.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -137.49 151.18 48.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -172.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.64 127.62 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . 0.402 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 16.8 p-10 -100.84 161.28 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -169.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.3 30.4 14.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.1 mt -112.59 136.98 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 -171.586 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.4 tp -147.52 115.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -162.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.15 129.1 37.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 163.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 42.7 t -104.45 98.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 133.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . 0.444 HG22 ' OD2' ' A' ' 477' ' ' ASP . 0.3 OUTLIER -68.31 144.08 54.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.377 -171.329 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -138.5 89.1 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . 0.444 ' OD2' HG22 ' A' ' 475' ' ' THR . 0.0 OUTLIER -122.96 123.22 40.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -166.136 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.12 123.39 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -87.71 167.39 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -173.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.65 71.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.14 -17.16 61.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 22.55 22.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 16.8 mt -91.33 139.73 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.4 104.59 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.51 113.78 21.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.45 133.55 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 91.7 p -158.17 170.54 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.94 139.03 44.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -141.23 102.08 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -170.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.04 117.16 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.95 -32.44 69.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.95 -49.0 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 30.9 t -83.43 -27.89 29.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.035 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 86.05 9.86 76.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.402 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 29.0 tttt -69.45 146.44 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -159.04 109.99 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -169.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -139.05 139.3 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 155.6 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -159.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.13 128.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 2.4 p -109.63 127.53 54.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.372 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -132.17 116.55 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.41 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -59.31 145.4 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -68.35 77.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 2.8 t -74.38 -173.88 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -162.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.9 t -150.84 153.56 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.069 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.259 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 57.5 m -62.96 88.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.5 tp -84.21 137.19 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 163.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -140.65 174.97 22.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 476' ' ' PHE . 0.8 OUTLIER -125.89 158.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 178.097 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.71 102.53 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 172.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 404' ' ' MET . 65.4 p -108.55 -174.4 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 164.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 403' ' ' THR . 4.1 mmt 3.33 87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -161.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 87.58 -71.29 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 152.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . -163.96 43.07 0.32 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.0 p -133.87 135.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.76 138.18 41.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 53.4 m -110.84 122.75 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.393 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.8 m -59.71 99.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 169.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.444 HD12 ' HB ' ' A' ' 412' ' ' ILE . 2.3 pp -74.38 -28.37 61.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.444 ' HB ' HD12 ' A' ' 411' ' ' LEU . 0.1 OUTLIER -146.89 151.46 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -101.83 155.9 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.21 -29.64 69.94 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -111.76 60.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.2 m -98.4 25.68 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 167.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 27.5 m 60.93 69.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 419' ' ' PRO . 19.5 mm -66.43 147.55 98.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.605 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 165.24 86.4 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.049 -15.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 1.4 t -155.07 157.51 37.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -162.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -144.28 131.13 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -143.13 136.1 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.588 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.45 160.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 60.04 30.99 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.08 20.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -146.67 99.87 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -77.3 146.15 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -175.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 14.9 p -79.51 71.79 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.42 99.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.4 133.8 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.34 -17.8 62.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.58 -40.43 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 49.13 49.22 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.1 t -168.21 -47.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.039 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -121.58 -179.31 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.74 132.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 164.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 41.4 p -133.63 99.13 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -169.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.21 125.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -96.85 120.42 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 149.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 440' ' ' VAL . 1.2 t -81.33 120.04 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 172.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.08 135.0 35.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -111.23 163.26 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 171.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 119.68 156.96 10.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.073 . . . . 0.0 111.027 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -84.69 67.82 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.272 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -133.86 130.05 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -74.82 -32.71 62.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -78.54 126.04 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.74 83.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -169.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -91.78 37.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -168.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 1.6 11.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 165.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -118.03 164.69 14.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -155.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -77.83 95.42 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 -172.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 85.4 p -62.0 146.12 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 170.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.43 37.15 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 141.69 170.29 12.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -164.22 157.17 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.64 160.34 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -136.16 156.58 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -144.97 116.74 8.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -94.44 118.3 31.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.11 48.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.81 66.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.432 0.725 . . . . 0.0 109.259 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -170.868 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.3 tp -83.93 145.5 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -168.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.31 134.33 50.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 154.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.38 128.76 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 85.3 m -97.81 145.11 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 401' ' ' ILE . 96.7 m-85 -140.73 89.65 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.948 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -137.16 124.82 22.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -155.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.498 HG13 HD22 ' A' ' 484' ' ' LEU . 3.5 mp -87.92 123.6 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.09 173.6 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.33 -28.41 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.334 -168.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.33 -17.96 63.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.48 22.36 37.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.52 139.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.498 HD22 HG13 ' A' ' 478' ' ' ILE . 0.0 OUTLIER -75.35 114.18 13.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 165.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -86.43 121.28 28.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 159.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.0 t -125.46 131.21 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 99.2 p -154.18 140.99 19.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -116.23 137.54 52.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -143.27 140.79 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.94 126.44 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.252 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.66 -16.02 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -64.38 -57.63 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 34.9 t -92.36 -29.6 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 4.29 78.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.57 160.19 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.81 147.68 27.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 110.307 -158.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -133.36 137.24 45.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 147.75 49.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -156.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.33 132.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.086 . . . . 0.0 109.384 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.4 p -116.25 126.06 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.53 122.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -174.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -57.3 132.37 52.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -142.14 47.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.8 t -152.84 134.16 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 22.4 m 51.99 79.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.974 -174.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.313 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 169.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.081 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.688 HD22 ' HB ' ' A' ' 440' ' ' VAL . 0.3 OUTLIER -148.82 78.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 170.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.36 153.12 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.43 1.082 . . . . 0.0 111.029 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 476' ' ' PHE . 14.9 pt -101.93 150.61 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.325 -167.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.33 99.05 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.69 -179.61 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.397 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 73.8 mtp -47.16 128.0 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 -165.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 91.9 25.69 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 64.72 34.82 90.91 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.7 p -114.93 139.62 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 26.0 ttt -76.4 128.71 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 85.1 m -111.61 115.6 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 162.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 20.2 m -71.95 68.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.437 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 52.0 tp -73.4 -27.1 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.76 136.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 174.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -108.84 166.21 10.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.45 116.94 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 54.66 60.13 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -170.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 63.0 m -51.64 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.535 ' C ' HG22 ' A' ' 418' ' ' ILE . 1.1 m -161.19 -32.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 110.351 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.535 HG22 ' C ' ' A' ' 417' ' ' THR . 14.9 tt 49.49 80.53 0.29 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 144.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 147.33 89.03 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.984 16.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 14.2 t -163.36 -175.44 4.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 152.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.85 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 177.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -130.74 160.08 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 165.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 65.5 p -141.04 142.41 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.058 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 61.38 -162.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 4.1 t 54.24 47.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -158.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.462 ' CE1' HD11 ' A' ' 438' ' ' ILE . 32.8 t80 -150.03 145.6 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 111.076 165.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.3 p -164.03 167.34 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 48.8 p -91.99 144.95 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.47 -61.01 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -89.51 139.05 30.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.342 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -68.36 -29.46 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.58 -41.2 94.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -86.11 77.27 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.3 m -84.03 44.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.023 -169.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -150.66 133.38 15.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -160.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 436' ' ' VAL . 16.9 m -80.61 90.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 175.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 437' ' ' THR . 11.3 t -84.6 105.14 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 162.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.566 HG21 HG11 ' A' ' 486' ' ' VAL . 2.7 mp -102.64 100.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 168.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -67.0 139.66 57.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 143.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.688 ' HB ' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -111.6 142.07 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 162.321 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.2 117.43 21.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -162.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.39 132.14 34.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 172.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 140.53 -155.78 24.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 451' ' ' ASN . 40.4 tt0 -155.73 90.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 0.782 . . . . 0.0 110.38 170.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -137.86 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.226 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -77.32 -50.94 11.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -86.65 137.06 32.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.12 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -167.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.56 -6.38 33.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 444' ' ' GLU . 4.1 t-20 -111.37 145.29 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -167.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -86.77 96.06 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -154.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 83.5 p -63.58 156.87 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.634 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -141.51 30.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 169.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.12 174.64 13.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -157.18 168.78 26.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.02 147.53 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 168.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.97 133.55 46.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.0 tm? -139.89 122.64 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . 0.422 ' N ' HD13 ' A' ' 459' ' ' LEU . 17.2 p-10 -100.38 120.0 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -166.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 153.34 52.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 tp -71.99 156.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 169.748 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 8.1 tp -78.23 144.88 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 148.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.41 105.57 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 171.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.78 118.14 52.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 26.6 m -101.93 145.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 401' ' ' ILE . 15.1 m-85 -131.61 89.12 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 170.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.08 121.56 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -166.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.17 125.75 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.97 168.43 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -167.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.81 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -17.62 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.81 9.71 57.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.73 137.49 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.411 HD23 HG11 ' A' ' 440' ' ' VAL . 18.5 tp -91.91 106.6 18.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 159.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -75.21 123.1 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 161.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 438' ' ' ILE . 57.5 t -118.25 138.62 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 172.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 43.7 p -153.24 154.97 35.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.63 139.13 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -123.85 113.67 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.01 107.04 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.59 -16.07 61.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.98 -55.71 17.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 21.7 t -102.92 -11.69 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -166.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 82.59 10.39 83.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -80.47 160.91 25.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 6.1 pt-20 -147.29 159.56 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 155.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.17 154.42 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -140.16 148.6 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -171.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.599 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -150.65 121.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -178.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.599 ' N ' HD13 ' A' ' 499' ' ' ILE . 20.5 p -105.12 125.36 50.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -130.59 142.84 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 178.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -100.43 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -153.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 50.89 45.66 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 58.1 m -149.26 156.65 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 11.7 t 54.67 53.21 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.078 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 41.5 m -53.52 132.94 40.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 109.96 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.727 HD11 HG13 ' A' ' 440' ' ' VAL . 9.2 tt -135.39 135.89 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -129.32 -179.53 16.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 162.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.26 156.03 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 0.0 109.334 171.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -79.06 102.64 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -173.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -101.23 179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 44.1 ttm -49.57 131.51 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.932 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 106.05 -14.76 44.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.73 7.33 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.8 p -133.5 133.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.245 -167.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 5.0 ptm -82.37 84.66 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -172.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 81.3 m -68.04 99.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 85.0 m -62.0 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 165.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.21 -38.86 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.03 151.34 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 172.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -88.1 162.17 16.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.4 -35.83 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -93.37 50.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -26.77 66.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 157.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 5.5 m 64.16 31.5 13.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.434 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 62.27 170.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 157.16 43.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.035 -2.486 . . . . 0.0 111.019 -73.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 2.3 t -169.23 131.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -101.42 119.74 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -114.92 164.71 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.643 166.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.26 157.52 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 426' ' ' PHE . 8.9 tp-100 59.37 -114.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.632 1.208 . . . . 0.0 110.269 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 94.5 t 44.06 -73.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -141.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 424' ' ' GLN . 35.9 p90 -109.61 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 57.8 p -145.36 -67.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.99 133.92 54.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -160.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -83.91 -22.41 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.593 1.183 . . . . 0.0 109.346 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.24 107.65 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -77.14 -24.04 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -170.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -78.85 -4.49 49.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -9.51 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p 68.22 16.6 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -152.33 171.01 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.72 139.72 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.1 p -127.34 95.83 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -166.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.8 mp -79.81 106.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -100.97 98.69 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.558 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.727 HG13 HD11 ' A' ' 399' ' ' LEU . 3.6 t -79.08 121.32 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 157.03 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 177.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.95 161.0 37.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.93 154.27 10.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.52 97.68 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.37 169.25 18.66 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.603 1.19 . . . . 0.0 110.333 174.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -92.14 -57.02 2.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.087 . . . . 0.0 109.278 168.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -90.65 142.27 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.233 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.24 79.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -167.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.54 -7.66 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -164.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.68 14.83 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -111.59 160.25 17.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -72.78 130.15 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.378 -168.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 71.2 p -79.62 158.25 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -164.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.58 ' HB3' HG12 ' A' ' 440' ' ' VAL . 0.9 OUTLIER -159.13 57.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -177.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 66.8 177.71 8.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 169.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.62 161.43 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.278 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.41 141.03 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -123.39 158.86 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -171.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 497' ' ' GLN . 3.1 tm? -147.46 121.87 9.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -113.11 90.15 3.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -167.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -162.29 36.09 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.31 141.92 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 26.6 m120 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.68 130.7 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 -157.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.03 124.93 44.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 163.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -107.67 119.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.097 . . . . 0.0 109.342 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -83.31 143.15 30.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.364 -172.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 426' ' ' PHE . 48.7 m-85 -140.47 90.87 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 167.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -132.85 122.23 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -152.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.5 mm -86.05 118.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -78.23 168.15 20.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.26 -17.47 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.24 11.43 56.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 483' ' ' ILE . 1.7 mp -86.5 140.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 109.345 170.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 1.1 pp -88.28 105.63 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -87.04 131.18 34.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.2 t -119.21 144.48 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.2 t -156.41 168.27 27.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.069 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.58 21.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 125.96 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.3 124.46 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -73.81 -19.41 60.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -78.24 -52.02 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.3 t -88.84 -26.75 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -171.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 11.27 67.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -77.24 151.85 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -146.69 133.35 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.227 149.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . 0.404 ' HB2' HD23 ' A' ' 459' ' ' LEU . 84.2 mt-30 -136.61 161.11 36.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 164.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -149.06 150.61 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 -155.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.65 138.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -175.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.9 p -116.84 125.98 52.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.08 134.2 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -178.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -88.9 155.53 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -95.86 61.23 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 42.0 p -169.18 168.03 10.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 8.3 t 67.02 99.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.057 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 111.017 171.639 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 35.4 m -56.18 135.01 53.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 399' ' ' LEU . 3.2 tm? -111.53 123.5 50.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . 0.412 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -146.5 176.68 25.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.927 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.79 163.44 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.346 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -79.09 89.17 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 22.9 p -79.39 164.65 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 51.5 ttm -51.03 119.2 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.33 -25.28 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -169.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.95 9.02 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.08 134.51 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.48 99.02 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 99.2 m -85.8 101.16 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 93.7 m -65.31 96.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 161.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -16.62 46.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.5 tt -150.76 134.19 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -166.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -96.35 164.07 12.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.96 -34.81 70.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -120.4 61.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 417' ' ' THR . 65.0 m -73.78 62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 170.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 416' ' ' THR . 70.0 p 37.84 68.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.77 165.76 49.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -165.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 96.5 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 -26.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 12.9 t -164.0 175.55 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.432 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -127.12 128.75 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -103.69 91.72 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 162.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 11.3 p -71.69 130.34 40.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 168.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -160.0 133.14 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 110.272 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 5.8 m -89.13 148.62 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.205 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.59 136.1 38.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 71.9 m -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.433 HG22 ' HB ' ' A' ' 436' ' ' VAL . 22.1 p -79.46 99.91 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.375 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.63 64.34 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -167.57 69.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 110.263 -172.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.03 -29.14 68.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -168.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.54 -33.76 76.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -102.59 126.42 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 99.4 p -78.43 64.0 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.948 167.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.88 174.53 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -166.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.433 ' HB ' HG22 ' A' ' 428' ' ' THR . 0.8 OUTLIER -129.35 121.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.458 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.9 m -104.51 114.5 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 438' ' ' ILE . 1.8 mp -79.35 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.45 98.91 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.79 HG21 HD13 ' A' ' 501' ' ' ILE . 5.4 t -72.53 141.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -175.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.68 141.79 51.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 159.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.73 135.9 52.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.03 -148.2 12.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -147.11 39.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.323 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -120.34 147.41 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -77.24 -41.98 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -80.75 142.92 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -17.9 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 0.0 109.337 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.39 60.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -109.98 -2.96 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.26 144.68 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -167.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -92.91 122.45 35.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -154.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 20.7 p -82.95 142.07 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.997 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.19 -14.18 19.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 121.22 -156.28 16.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -168.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.14 160.82 42.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -168.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.02 136.29 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.26 160.22 23.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -165.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -152.72 121.51 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -105.61 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -165.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.58 19.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 463' ' ' ASN . 3.5 tt -71.82 167.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 462' ' ' ILE . 12.7 m120 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 474' ' ' VAL . 31.3 mm -106.88 91.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.54 72.56 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 176.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.469 HG23 HG22 ' A' ' 472' ' ' ILE . 73.8 t -82.44 91.52 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 158.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 12.4 m -90.18 143.81 26.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 -159.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -108.06 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 164.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.2 120.67 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -165.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.8 tt -100.69 128.25 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.49 175.25 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.196 . . . . 0.0 109.292 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.11 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.26 -17.6 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.32 53.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.22 137.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 0.0 109.305 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.61 103.11 11.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 171.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.12 98.83 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 168.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.67 111.16 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.0 p -98.96 166.15 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.933 -172.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -138.91 98.74 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 152.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -106.08 103.35 12.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.6 124.15 39.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -172.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -64.84 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -67.32 -47.47 70.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 5.9 t -90.31 -30.75 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.014 -172.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.15 5.95 79.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -80.79 158.96 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.81 106.8 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 150.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -115.57 142.77 46.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 110.321 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 155.45 45.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -162.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.41 HD12 HG13 ' A' ' 501' ' ' ILE . 0.2 OUTLIER -132.78 131.78 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 176.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.99 121.87 39.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.79 HD13 HG21 ' A' ' 440' ' ' VAL . 4.8 mt -134.93 114.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -167.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -77.57 137.43 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -171.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -88.11 59.73 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 35.0 p -163.64 57.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 32.5 t -168.67 55.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.026 -174.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -175.699 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 39.3 m -63.86 109.37 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 441' ' ' LEU . 48.8 tp -88.01 132.78 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.41 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 167.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 5.2 pt -133.13 162.67 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.306 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -78.42 110.5 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 164.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 21.3 p -99.82 151.56 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.25 124.68 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 -157.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 133.39 -20.34 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.094 -167.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.36 29.32 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.48 137.71 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -169.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.8 tpp -68.13 123.48 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.0 m -111.2 110.61 21.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 164.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 87.1 m -66.87 87.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 170.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -49.06 -52.96 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 11.0 pt -147.44 160.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -87.44 166.98 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -167.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -34.25 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -120.82 61.17 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 417' ' ' THR . 32.3 m -74.97 63.07 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.187 . . . . 0.0 110.363 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 416' ' ' THR . 14.7 p 34.66 75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.422 168.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.52 HG22 HG21 ' A' ' 478' ' ' ILE . 9.2 pt -74.49 168.58 25.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -164.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.08 32.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.945 -31.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.447 HG21 HG22 ' A' ' 416' ' ' THR . 10.9 t -164.26 178.09 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 -178.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.8 127.89 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.324 -172.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.39 165.32 20.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.681 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 5.4 m -143.65 -62.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 69.12 158.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.311 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.55 128.02 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 158.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -151.68 121.77 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 111.062 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.7 m -72.96 141.27 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -163.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 22.8 p -82.55 94.8 7.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.46 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.22 68.09 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -158.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.8 84.61 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.7 t70 53.42 -94.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -121.25 -1.68 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -165.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -105.04 157.54 17.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.239 -158.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 69.7 m -76.3 66.45 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -157.07 167.41 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -170.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.8 p -126.47 132.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 5.9 t -114.36 122.8 47.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.384 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 438' ' ' ILE . 2.2 mp -108.04 106.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 170.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -97.74 102.58 14.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 165.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.85 120.07 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -133.19 155.15 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 175.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.24 144.96 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 168.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 134.57 -83.29 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -167.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.3 -28.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -60.36 -153.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 153.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -55.73 148.82 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -168.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.06 61.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.45 -10.71 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 -166.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -113.32 11.76 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -111.65 134.55 53.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -171.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -79.68 115.86 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -155.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 94.3 p -70.98 157.06 38.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.073 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -156.39 35.9 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.43 164.43 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.7 161.1 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.57 138.91 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -133.53 157.66 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 18.3 tp -126.79 115.84 19.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -99.2 145.87 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.56 44.47 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.406 HD13 HD13 ' A' ' 472' ' ' ILE . 3.3 mt -106.24 101.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 109.252 177.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 -176.03 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 472' ' ' ILE . 11.4 tp -131.89 155.92 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -155.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -140.2 125.66 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.278 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 13.8 t -116.41 115.49 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.26 144.17 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -172.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -130.71 89.29 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 161.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -127.69 124.13 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -161.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.52 HG21 HG22 ' A' ' 418' ' ' ILE . 3.1 mm -81.62 126.52 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.16 169.35 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.38 -31.56 72.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -171.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.54 -17.59 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.55 22.22 27.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.12 134.62 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 101.68 11.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -73.93 122.84 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.623 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 78.1 t -120.23 134.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 94.7 p -153.47 152.76 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.76 50.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 168.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 125.89 14.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.25 125.83 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -75.02 -28.09 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -81.95 -46.11 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.268 -172.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.4 t -91.43 -34.45 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -172.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.31 7.07 77.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -80.87 140.6 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.22 157.24 38.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.277 -169.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.65 144.31 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 172.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -110.14 160.03 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -175.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -149.59 125.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 168.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.577 ' N ' HD13 ' A' ' 499' ' ' ILE . 0.8 OUTLIER -114.68 127.15 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -177.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.02 125.29 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 -175.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -64.76 138.13 58.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -83.95 96.02 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.1 t -76.9 -168.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 -165.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 78.1 p -142.49 35.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -177.866 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 42.3 m -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 440' ' ' VAL . 4.8 tp -79.69 107.78 12.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 156.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.78 145.65 17.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 165.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.4 HD13 ' CE2' ' A' ' 476' ' ' PHE . 0.1 OUTLIER -109.98 156.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -174.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.35 104.9 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.2 OUTLIER -121.22 -173.7 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 -173.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 403' ' ' THR . 5.6 ttm -35.63 122.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 95.17 2.54 62.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 70.71 31.51 67.6 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.43 141.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.267 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.98 68.32 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -174.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.4 m -53.06 109.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 82.8 m -67.1 84.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 426' ' ' PHE . 10.5 tt -67.82 -55.03 14.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.91 132.43 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.48 163.02 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -170.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -59.3 109.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.21 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.9 t30 59.06 60.37 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.391 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.459 HG21 HG21 ' A' ' 420' ' ' THR . 37.8 m -49.53 -72.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 418' ' ' ILE . 83.6 m -155.87 -40.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 419' ' ' PRO . 18.8 pt 42.75 79.08 0.35 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 166.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 159.0 98.65 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.085 15.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.459 HG21 HG21 ' A' ' 416' ' ' THR . 0.7 OUTLIER -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 157.377 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -144.57 135.31 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -150.92 138.78 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.613 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 94.0 p -141.01 164.19 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . 0.526 ' N ' HG22 ' A' ' 425' ' ' VAL . 0.0 OUTLIER 76.73 -51.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 178.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . 0.526 HG22 ' N ' ' A' ' 424' ' ' GLN . 4.8 m 35.06 -115.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 150.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.451 ' H ' HG23 ' A' ' 425' ' ' VAL . 11.7 m-85 -94.05 165.92 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 4.6 m -159.5 -68.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 169.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 36.3 p -142.46 156.02 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.432 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.05 -63.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.7 165.37 17.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.82 -22.23 64.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.203 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.38 -27.96 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.53 83.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 53.2 m -88.13 -3.85 58.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 152.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -140.44 -178.16 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.99 136.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 154.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 71.6 p -133.67 78.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.358 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.92 114.74 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -99.98 108.11 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 169.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 399' ' ' LEU . 52.7 t -71.74 122.95 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 159.74 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -132.65 149.38 52.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.87 -163.38 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -160.09 82.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.294 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 447' ' ' ARG . 0.8 OUTLIER -156.74 40.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 68.75 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 167.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 445' ' ' ARG . 1.8 mtt85 -73.9 150.91 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -171.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.55 -25.16 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.3 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.83 26.84 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.8 150.33 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 -175.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -81.75 118.29 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -159.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 17.4 p -67.4 148.03 52.12 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.442 ' HG ' HG12 ' A' ' 440' ' ' VAL . 0.7 OUTLIER -148.87 46.11 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 109.361 164.043 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 104.67 -179.95 24.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -156.43 169.49 24.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -173.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 155.24 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 166.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -137.27 154.42 50.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 4.3 tt -154.62 127.11 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 109.335 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -114.78 158.78 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -154.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.0 41.29 4.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.4 tt -101.85 158.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.2 tp -149.75 120.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.45 92.42 4.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -172.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 19.8 t -91.99 147.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 164.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -128.13 143.59 51.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' A' ' 486' ' ' VAL . 94.3 m-85 -137.97 89.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.951 161.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -122.97 123.62 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.508 HG12 HD22 ' A' ' 484' ' ' LEU . 0.3 OUTLIER -98.4 126.76 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -171.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -81.02 166.72 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.5 70.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.32 -17.71 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.13 22.64 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -95.86 136.43 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.585 HD12 HG23 ' A' ' 486' ' ' VAL . 0.0 OUTLIER -82.98 110.25 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 161.576 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.32 115.51 22.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.588 164.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.585 HG23 HD12 ' A' ' 484' ' ' LEU . 71.3 t -114.3 143.56 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 171.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.1 p -158.62 157.78 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.025 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.55 149.61 49.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -154.16 127.65 8.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.13 124.65 34.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -65.64 -32.39 73.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.24 -54.05 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 12.1 t -83.04 -18.66 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.028 -167.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 83.68 11.01 80.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 171.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.52 154.09 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.19 129.76 12.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 167.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -146.93 139.45 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -142.02 149.25 39.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -162.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.568 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.26 119.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -169.003 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.568 ' N ' HD13 ' A' ' 499' ' ' ILE . 9.3 p -101.9 129.75 48.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -131.3 114.79 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 178.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -64.07 156.17 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -53.0 128.97 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 163.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 46.9 t -139.6 163.66 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 -159.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 89.6 p -119.25 17.05 13.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -168.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 5.9 t 62.38 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.9 82.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 162.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -91.72 179.59 41.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.663 HD13 ' CZ ' ' A' ' 476' ' ' PHE . 1.5 pt -115.67 144.37 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -177.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -78.84 78.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 37.0 p -93.61 174.31 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -50.1 128.87 19.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 111.01 -166.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 115.83 -22.36 11.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -167.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 73.89 43.91 32.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.51 137.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 -169.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.1 73.98 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 83.7 m -60.6 115.25 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.1 m -68.36 89.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 411' ' ' LEU . 1.0 OUTLIER -57.44 -55.13 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 175.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.5 pt -144.36 167.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -94.44 167.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 -155.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -67.14 124.4 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 35.0 m120 48.22 61.68 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -165.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 5.9 m -39.7 -60.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 110.364 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.482 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 170.23 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.422 -171.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 417' ' ' THR . 0.8 OUTLIER 60.74 165.97 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.04 122.41 7.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.958 -50.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 6.8 t -148.78 143.55 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -156.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -110.65 129.07 55.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.41 159.33 27.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 160.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 15.6 m -161.04 -63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -78.28 85.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -169.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.67 -59.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 401' ' ' ILE . 32.4 p90 -127.37 168.18 15.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -149.41 -167.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 68.4 p -90.93 167.61 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.47 -59.11 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -172.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -88.99 103.74 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -71.79 -29.79 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -169.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.9 -42.76 90.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -166.97 117.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 p -153.0 176.48 11.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -176.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -136.07 137.64 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 436' ' ' VAL . 34.2 m -83.54 81.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -78.61 81.72 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.414 HG21 HG11 ' A' ' 486' ' ' VAL . 1.1 mp -79.56 131.1 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.93 151.64 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.567 135.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.77 126.98 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 166.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.25 139.87 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -166.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.78 155.82 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 177.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 148.38 -152.04 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -142.57 39.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -127.69 158.99 36.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.26 -54.53 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.379 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -87.38 151.37 23.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.25 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.99 -24.81 55.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -165.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.45 -8.47 57.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -170.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -104.49 4.79 33.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.61 152.63 35.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -162.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -88.15 103.83 16.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -165.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 33.6 p -68.21 148.39 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.49 32.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 171.78 95.8 0.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.0 137.93 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 110.292 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.91 122.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.7 159.01 21.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.55 118.78 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -97.75 156.45 16.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.12 41.8 3.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.08 136.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.575 0.809 . . . . 0.0 109.288 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 176.719 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 472' ' ' ILE . 0.1 OUTLIER -122.57 107.49 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 167.19 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.465 ' N ' HD13 ' A' ' 472' ' ' ILE . 0.0 OUTLIER -165.45 159.99 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -177.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 22.2 t -105.73 125.75 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 167.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.16 141.78 34.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 401' ' ' ILE . 57.5 m-85 -133.43 93.37 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.41 121.32 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -163.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.2 mm -87.24 118.85 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -79.35 166.61 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.17 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.17 -0.01 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.06 22.29 23.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 166.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -89.47 122.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.29 99.36 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -85.15 103.59 14.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 109.632 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 476' ' ' PHE . 93.9 t -102.66 125.25 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.9 p -151.83 158.79 43.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -136.42 129.72 31.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -118.3 108.85 15.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -96.43 125.98 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -77.1 -16.84 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 167.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.26 -57.46 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -172.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.1 t -104.78 -3.71 23.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.52 -5.3 84.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 170.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -74.72 160.46 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 -167.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.68 110.93 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -138.54 155.86 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.11 162.4 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -162.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.34 133.94 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 174.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.3 p -121.01 122.74 40.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 110.388 -173.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.22 127.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -177.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -56.74 130.24 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.36 28.37 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 29.3 t -64.89 -52.23 57.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.948 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.0 t 63.52 92.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 152.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.412 1.07 . . . . 0.0 110.955 165.819 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.5 m -73.65 109.56 7.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.512 HD13 ' C ' ' A' ' 399' ' ' LEU . 3.3 tm? -78.76 108.41 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 167.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -120.18 169.47 13.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.654 HD11 ' CE1' ' A' ' 426' ' ' PHE . 29.6 pt -130.59 147.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 0.0 109.288 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.79 112.28 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.45 168.71 13.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 32.3 ttm -47.71 130.81 14.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -166.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 110.45 -20.68 25.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.047 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 77.29 50.64 6.58 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.12 138.88 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 409' ' ' THR . 0.0 OUTLIER -80.99 64.36 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -173.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 408' ' ' MET . 2.3 m -40.34 132.05 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -169.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 50.0 m -65.96 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 411' ' ' LEU . 4.2 tt -58.5 -62.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.0 142.73 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 416' ' ' THR . . . -95.68 162.49 13.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -61.13 112.52 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.3 m120 58.0 60.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -173.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 413' ' ' ALA . 42.4 m -53.51 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.38 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.3 t -166.2 -45.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.42 143.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.459 HG23 ' HA ' ' A' ' 419' ' ' PRO . 2.9 mt 69.64 134.28 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 169.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.459 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.3 Cg_endo -74.99 153.88 99.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.957 -2.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -166.4 170.38 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -142.6 139.81 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -118.28 164.56 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.556 159.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.9 p -173.95 -51.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -169.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -36.83 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 -174.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.6 59.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.654 ' CE1' HD11 ' A' ' 401' ' ' ILE . 10.5 m-85 -168.87 166.34 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 81.2 p -158.77 144.47 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.963 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.663 HG22 HG21 ' A' ' 436' ' ' VAL . 41.9 p -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 175.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -105.52 118.28 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -152.93 112.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.357 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.09 -17.99 60.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -54.7 -50.49 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.33 167.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -170.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.0 m -78.04 61.51 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.63 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.663 HG21 HG22 ' A' ' 428' ' ' THR . 7.8 p -78.23 112.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -168.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 30.9 m -117.31 99.83 7.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.89 117.24 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.18 114.63 26.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.587 160.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.87 128.73 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.239 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.67 149.69 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.79 140.28 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 173.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 163.2 -150.89 20.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.96 38.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.249 151.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -97.59 128.29 44.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -41.07 55.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -154.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.96 136.57 40.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.3 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.04 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.33 60.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -105.98 -1.17 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -111.45 146.53 37.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -80.46 100.61 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 -162.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 35.5 p -68.52 154.62 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 170.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -149.6 30.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 140.51 177.07 15.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.02 171.08 19.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.252 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.76 159.83 40.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 167.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -132.37 153.57 50.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -173.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -138.55 111.02 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 163.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -84.64 149.27 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.07 1.05 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.84 154.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 47.6 t30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 172.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 6.8 mm -96.48 141.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -130.15 167.98 17.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.25 149.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 t -127.72 113.19 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 164.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.97 141.62 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.44 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 64.8 m-85 -131.16 88.6 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.07 125.06 49.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -166.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.9 tt -106.07 133.0 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -99.54 -179.09 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.18 71.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -172.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.12 -16.47 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.73 22.26 43.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.35 127.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 484' ' ' LEU . 0.0 OUTLIER -76.51 107.69 8.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 167.207 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -87.57 91.29 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.61 168.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 71.8 t -101.25 123.51 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.9 p -151.65 136.21 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 -165.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -108.89 124.99 51.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -114.76 129.76 56.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -162.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.96 103.67 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 159.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.11 -26.56 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -160.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -82.64 -41.38 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.8 t -87.79 -30.52 20.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -169.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.19 74.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.72 160.02 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.261 171.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -164.5 166.41 20.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -130.7 154.1 48.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 152.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.62 146.56 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -162.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.631 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -142.78 122.94 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 178.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.631 ' N ' HD13 ' A' ' 499' ' ' ILE . 42.8 p -102.3 129.59 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -134.74 120.63 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 178.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -70.16 110.29 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.332 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -109.26 27.67 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.235 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 21.7 m -65.6 -48.29 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 p -167.43 156.08 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 178.013 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 29.3 m -65.83 167.96 8.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 400' ' ' GLY . 1.2 tm? -133.3 116.44 16.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -128.25 168.73 20.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 176.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.5 pt -116.36 161.72 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -79.18 125.25 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 19.4 p -129.74 176.82 7.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.458 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 8.5 mtt -41.76 134.18 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 102.78 -4.91 50.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.423 1.077 . . . . 0.0 110.961 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 62.09 44.93 97.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.4 p -127.36 139.92 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -165.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.93 125.04 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 177.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.1 m -110.36 103.95 12.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.387 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 46.5 m -64.06 87.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.72 -32.26 21.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.68 139.96 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -111.63 167.06 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 178.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.57 99.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.3 t30 59.77 61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 1.9 m -30.95 -61.28 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 156.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.458 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 173.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 179.443 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 417' ' ' THR . 1.2 pt 57.4 168.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.47 3.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.007 -34.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.9 t -132.85 142.34 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -147.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -143.1 122.49 13.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -162.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -168.06 161.37 12.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.0 p -78.94 -48.51 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 61.49 28.53 17.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -165.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 23.5 t 58.83 77.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 60.2 m-85 -134.81 43.46 2.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 161.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 31.8 t -56.11 -64.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.8 p -140.99 127.0 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 159.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.92 46.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -129.58 102.71 6.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 110.288 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -74.07 -5.74 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.47 -47.94 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -173.74 179.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -173.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 26.0 p -68.7 67.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 166.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.96 178.87 8.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.371 -167.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.8 p -132.69 90.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 165.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 64.4 p -101.92 102.01 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.4 mp -79.72 103.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -78.91 119.27 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 150.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.434 HG13 HD21 ' A' ' 399' ' ' LEU . 1.2 t -86.51 124.93 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.71 146.02 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -165.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.41 144.3 46.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 170.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -126.1 2.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -173.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -152.1 64.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 -168.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 71.01 -175.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 159.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 72.2 -172.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.368 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -49.28 132.82 19.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.84 80.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -161.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.59 56.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -169.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.12 -1.92 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.13 159.87 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.55 160.0 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 109.294 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 78.4 p -136.47 160.73 37.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.04 36.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.82 178.48 15.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -158.81 162.91 37.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.54 145.28 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.061 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -135.62 143.77 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 66.3 tp -116.08 92.99 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 155.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -95.55 160.97 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -168.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 84.82 42.23 7.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.4 tt -97.17 158.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.271 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 25.1 m120 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 169.746 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.1 mm -124.55 134.91 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.246 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -108.82 126.63 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 166.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 66.5 t -121.5 120.57 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 164.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.7 m -116.12 128.65 55.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 486' ' ' VAL . 20.1 m-30 -111.77 89.16 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 173.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.6 123.37 44.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -155.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.94 116.31 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -81.85 178.28 8.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.92 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.09 -17.46 62.58 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.71 2.78 61.24 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.07 139.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.421 HD13 HD12 ' A' ' 399' ' ' LEU . 0.5 OUTLIER -79.48 96.6 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 169.086 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -84.17 90.03 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 476' ' ' PHE . 6.2 t -88.78 122.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -174.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 55.1 p -136.99 139.57 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -171.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.76 136.62 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -142.57 131.35 22.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -155.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.28 126.1 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 170.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -70.21 -32.42 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -161.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -85.18 -57.69 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 7.8 t -87.52 -18.2 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -173.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.83 64.61 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 164.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -81.12 150.59 28.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 0.82 . . . . 0.0 109.283 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.95 166.97 31.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -169.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -145.62 140.91 27.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 156.11 30.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -155.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.621 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -143.56 121.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 168.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.621 ' N ' HD13 ' A' ' 499' ' ' ILE . 5.2 p -99.59 127.56 45.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -135.19 124.17 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 177.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -76.62 -26.39 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 56.04 61.47 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 64.6 m -83.77 157.35 22.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 99.1 p -81.4 170.82 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.591 1.182 . . . . 0.0 111.038 174.264 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 54.9 m -52.96 142.25 20.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -167.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 440' ' ' VAL . 10.2 mt -93.04 126.07 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 158.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -114.96 -179.85 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 157.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.403 HG22 ' CG1' ' A' ' 440' ' ' VAL . 0.4 OUTLIER -124.93 156.97 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.24 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -84.49 93.84 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 3.8 p -78.65 142.53 37.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.22 134.4 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -161.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 124.93 -17.87 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -162.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 81.06 27.03 51.3 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.9 138.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.96 130.9 35.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 60.5 m -113.98 107.09 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 166.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 17.7 m -65.56 76.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.382 162.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -41.81 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.34 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.01 163.81 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.74 -21.96 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -97.85 60.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.657 HG21 HG21 ' A' ' 420' ' ' THR . 0.2 OUTLIER -80.18 -91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 159.404 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 t -174.13 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.438 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.475 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 7.7 mt 67.82 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 158.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.06 172.99 60.24 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.919 18.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.657 HG21 HG21 ' A' ' 416' ' ' THR . 3.4 t -160.15 172.51 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 162.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -145.81 143.87 29.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 168.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -133.19 169.79 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 155.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 18.2 p -156.69 138.56 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.941 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -166.57 133.92 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 42.6 t -88.66 119.49 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 171.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -116.7 38.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 178.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -161.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -122.06 114.93 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.65 87.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -157.69 113.33 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.41 -26.41 64.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -71.48 -17.13 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 53.5 65.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -170.64 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.91 2.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.6 p -131.04 123.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.207 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 99.6 m -110.48 106.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 175.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.459 HG21 HG11 ' A' ' 486' ' ' VAL . 1.0 OUTLIER -80.79 153.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -150.95 122.67 8.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.794 ' HB ' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -108.64 139.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -178.204 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.27 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -78.52 105.83 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.21 -173.45 42.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.027 -164.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -148.52 93.23 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 75.84 -175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 161.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.5 tttt 74.2 -158.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -170.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -74.74 142.12 44.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.53 80.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.03 -9.62 58.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 -169.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.95 -4.87 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -118.06 153.1 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.83 119.63 25.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -156.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 34.4 p -61.01 148.53 39.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -174.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.519 ' O ' HD13 ' A' ' 454' ' ' LEU . 2.4 tm? -163.44 66.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -174.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 96.33 144.53 17.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 153.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.04 156.37 42.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 0.807 . . . . 0.0 110.286 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.58 147.74 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.12 149.01 44.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.57 139.13 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 166.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.78 124.38 40.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 158.9 49.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 167.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 31.4 mm -102.64 153.73 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 21.1 mm -125.68 153.1 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -135.02 137.61 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 153.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.48 122.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.44 142.3 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -167.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.32 93.2 3.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.957 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -123.57 121.25 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.235 -165.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.623 HG22 HG22 ' A' ' 420' ' ' THR . 0.2 OUTLIER -97.26 126.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -172.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.58 175.26 10.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.02 79.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.3 -20.79 60.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.48 24.06 17.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.1 139.61 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 157.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.07 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 167.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -73.99 110.45 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.597 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 438' ' ' ILE . 63.9 t -104.6 132.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 172.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 87.8 p -147.42 150.27 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.18 54.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 170.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -133.23 117.79 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -95.45 118.8 32.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -170.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -74.45 -24.7 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -76.77 -53.95 7.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 10.2 t -88.06 -24.86 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -168.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 85.3 8.29 81.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.42 157.67 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 4.5 pt-20 -148.28 151.71 35.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 161.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -166.3 142.9 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -135.82 156.99 47.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -158.614 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.618 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -147.1 123.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -174.463 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.618 ' N ' HD13 ' A' ' 499' ' ' ILE . 13.4 p -102.2 127.26 49.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.438 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -136.56 139.14 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 176.148 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -68.86 140.53 55.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -122.74 18.19 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 161.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 65.0 p -99.63 -72.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 151.01 39.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -170.515 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 2.5 m 62.73 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.95 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 442' ' ' GLN . 0.6 OUTLIER -154.73 101.15 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 165.013 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -110.76 -177.21 20.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.406 HD11 ' CZ ' ' A' ' 426' ' ' PHE . 13.6 pt -130.94 165.31 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 166.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -78.74 90.92 4.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.299 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 32.7 p -82.66 168.67 17.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.8 ttm -48.62 126.23 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.445 1.091 . . . . 0.0 110.958 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 121.31 -27.23 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -170.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 89.41 32.38 10.47 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.58 134.17 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.331 -163.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 39.3 ttp -74.12 92.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.059 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 49.4 m -83.31 106.59 15.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 25.1 m -74.55 96.36 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 167.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.26 -43.51 94.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 173.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.8 pt -143.93 134.19 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -89.25 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.82 149.21 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.7 t30 56.14 44.31 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 -161.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 20.6 m -39.77 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 162.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 8.1 t -175.54 43.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 162.17 39.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 -140.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.968 -20.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.4 t -156.12 172.5 18.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -149.12 91.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -160.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -89.22 84.06 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.554 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 95.3 p -88.0 149.63 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 110.063 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 56.5 51.26 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.296 172.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.13 -55.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' A' ' 401' ' ' ILE . 59.7 t80 -89.58 151.33 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 428' ' ' THR . 37.9 t -142.74 -162.86 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.407 ' N ' ' OG ' ' A' ' 427' ' ' SER . 0.7 OUTLIER -78.12 74.65 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.366 -178.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.9 70.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.16 133.83 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -26.09 63.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -156.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.14 -32.57 74.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 48.67 41.49 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 72.2 m -125.12 -56.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -125.85 131.72 52.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.53 134.86 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.07 99.04 4.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 110.401 -169.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.449 HG21 HG11 ' A' ' 486' ' ' VAL . 2.5 mp -92.22 94.34 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -70.75 105.26 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 162.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.77 123.5 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -166.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 453' ' ' SER . 0.0 OUTLIER -167.83 173.28 8.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -175.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.472 ' HB3' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -150.97 160.09 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.332 -154.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -145.36 14.16 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -152.11 43.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 110.29 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -137.25 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 170.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.48 -53.25 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -166.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -87.18 136.6 32.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -162.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.09 81.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.27 9.78 24.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.87 45.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 167.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.83 167.69 24.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 162.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 99.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 -167.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 441' ' ' LEU . 74.5 p -52.95 146.82 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.951 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.51 32.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -171.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 85.84 -156.31 29.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -173.95 142.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -170.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.67 142.85 33.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -136.94 162.61 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 38.2 tp -151.63 139.39 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.12 104.45 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 175.38 52.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.8 mp -122.46 137.98 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 0.803 . . . . 0.0 109.249 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.366 -179.083 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -143.7 121.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -165.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -118.02 100.03 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.67 100.21 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.27 137.39 50.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.93 89.84 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 155.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.77 117.87 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -156.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.4 tt -111.65 128.68 68.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -167.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -94.6 167.32 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.62 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.61 -18.2 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.79 22.42 25.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.62 139.98 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 tp -89.74 117.07 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 166.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -80.11 121.9 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.583 160.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.449 HG11 HG21 ' A' ' 438' ' ' ILE . 59.1 t -115.08 114.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 72.6 p -140.87 113.27 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -159.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -91.67 103.94 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -92.46 100.81 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -74.81 104.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -168.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.18 -44.15 16.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.246 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 24.3 t -80.34 -26.01 38.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.23 70.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.02 155.99 27.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 0.0 109.257 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.16 126.58 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 158.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -134.37 150.46 50.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.23 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 111.55 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -160.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.638 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -100.6 123.26 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 177.528 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.638 ' N ' HD13 ' A' ' 499' ' ' ILE . 25.6 p -101.66 127.74 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.69 118.84 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 178.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -52.48 147.39 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.72 95.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.98 -173.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 168.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 m -121.12 -58.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 174.517 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 17.9 m -52.76 102.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' A' ' 440' ' ' VAL . 26.1 tp -96.28 115.97 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -116.25 176.33 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.634 HG21 ' CE1' ' A' ' 476' ' ' PHE . 22.2 pt -118.8 144.13 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.263 -176.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.84 112.56 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.8 OUTLIER -133.99 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.378 -167.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . 0.523 ' C ' ' O ' ' A' ' 403' ' ' THR . 7.8 tpt 1.1 90.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -150.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 99.89 -63.86 0.65 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 166.09 58.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.71 136.52 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 166.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 11.9 ttt -75.45 89.65 2.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -73.4 87.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 110.369 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 61.6 m -61.57 87.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 156.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 411' ' ' LEU . 9.6 tt -110.62 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 170.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 412' ' ' ILE . 0.1 OUTLIER -79.86 65.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 177.186 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.9 169.94 10.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -69.33 -23.75 63.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -103.09 29.6 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -173.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.466 HG22 HG21 ' A' ' 420' ' ' THR . 60.4 m -79.53 60.31 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 175.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 9.4 m 45.29 42.39 7.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.172 . . . . 0.0 110.408 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 419' ' ' PRO . 0.0 OUTLIER -42.74 142.38 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 174.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.05 157.84 99.32 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.941 -13.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.466 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -158.31 160.49 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 167.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.87 87.29 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -161.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.57 161.77 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -167.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.4 m -130.2 -67.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 161.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 43.74 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 10.9 p -46.45 125.56 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -166.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' A' ' 401' ' ' ILE . 17.9 m-85 -87.67 157.52 19.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 68.5 m -66.83 116.18 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.939 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.6 p -78.84 88.28 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.07 78.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -138.32 114.03 9.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.28 -26.29 62.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -165.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -69.44 -18.9 63.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 52.44 67.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 29.5 t -159.5 -52.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 -162.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -129.95 176.97 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.29 136.48 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 70.9 p -125.11 120.68 32.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.408 1.067 . . . . 0.0 110.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.57 HG21 HG11 ' A' ' 486' ' ' VAL . 1.2 mp -113.33 125.54 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 174.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 149.25 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 140.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.604 ' CG1' HG22 ' A' ' 401' ' ' ILE . 0.0 OUTLIER -115.07 135.61 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 162.002 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 146.81 48.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -165.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -128.71 155.17 45.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 155.29 -95.94 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 111.08 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -159.13 44.67 0.26 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 110.34 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 446' ' ' LYS . 6.1 ttt180 63.11 -165.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 172.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 445' ' ' ARG . 3.2 ttpt 82.3 -161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -59.77 139.01 57.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.08 75.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -167.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.13 -6.3 58.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.03 164.3 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -173.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -69.54 121.02 16.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 5.0 p -94.03 141.47 28.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.022 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.67 56.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -168.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.17 113.26 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -109.24 142.05 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.47 162.74 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.73 164.97 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 48.5 tp -148.42 136.65 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 167.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -96.8 151.17 19.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 109.37 44.53 1.07 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.069 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -78.24 168.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 0.725 . . . . 0.0 109.254 172.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -169.846 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 5.6 tp -158.03 135.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -137.28 146.35 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.24 108.72 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 159.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 137.85 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . 0.634 ' CE1' HG21 ' A' ' 401' ' ' ILE . 61.0 m-85 -140.45 98.46 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.985 168.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.97 122.97 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -148.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 484' ' ' LEU . 1.1 tp -115.7 119.01 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -177.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -94.71 174.58 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.64 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.52 -18.07 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 92.29 12.61 58.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 172.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.58 139.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.556 0.797 . . . . 0.0 109.32 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -81.09 108.76 15.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 168.232 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -82.96 109.84 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 161.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.57 HG11 HG21 ' A' ' 438' ' ' ILE . 92.3 t -111.99 141.65 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.262 170.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 82.6 p -162.34 167.75 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.431 1.082 . . . . 0.0 109.905 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.24 142.69 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 168.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.64 116.09 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -86.33 114.09 22.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -77.98 -27.75 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 -171.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -70.6 -46.35 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 22.3 t -88.95 -23.39 22.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.19 10.66 70.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -80.57 158.53 25.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.09 153.99 33.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 164.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -159.26 141.39 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -157.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . 0.527 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.54 118.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -172.572 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.527 ' N ' HD13 ' A' ' 499' ' ' ILE . 16.8 p -111.24 126.94 55.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.467 -175.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.95 128.93 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -62.67 -44.41 96.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 42.56 79.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -169.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 97.5 p -152.06 142.77 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 18.2 t 60.06 -170.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.671 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 73.8 m -49.89 151.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 158.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' LEU . . . . . 0.582 HD21 HG13 ' A' ' 501' ' ' ILE . 46.5 tp -144.81 76.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -80.49 -173.52 46.68 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' ILE . . . . . 0.448 HG22 ' CG1' ' A' ' 440' ' ' VAL . 0.9 OUTLIER -130.55 160.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.239 -173.644 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.61 88.19 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.251 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 404' ' ' MET . 2.5 p -79.98 160.34 25.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 174.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 403' ' ' THR . 11.0 mmt 2.4 95.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -144.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . -42.4 110.51 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -148.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 161.19 -43.06 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.24 144.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.9 ttt -92.31 151.45 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.942 -168.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 63.5 m -134.04 108.93 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.398 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 73.3 m -71.54 79.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 165.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.465 HD22 ' CZ ' ' A' ' 426' ' ' PHE . 2.6 pp -70.17 -31.29 68.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 170.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -112.5 137.94 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -175.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -119.32 171.58 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -78.61 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.6 23.09 13.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . 0.504 HG22 HG21 ' A' ' 420' ' ' THR . 2.6 m -78.13 11.78 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.421 171.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 54.9 m 83.29 -53.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 148.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 419' ' ' PRO . 47.9 mt 76.32 145.13 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 159.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' PRO . . . . . 0.541 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.98 167.04 81.64 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.075 -2.469 . . . . 0.0 111.008 -13.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' THR . . . . . 0.504 HG21 HG22 ' A' ' 416' ' ' THR . 5.2 t -167.16 165.82 15.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.449 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -128.61 119.49 24.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.364 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -114.54 75.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.8 t -77.03 -54.09 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -170.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 57.3 -167.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.3 86.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' PHE . . . . . 0.465 ' CZ ' HD22 ' A' ' 411' ' ' LEU . 87.7 m-85 -85.05 121.54 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 44.8 m -60.22 134.25 56.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.0 m -79.01 93.41 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.385 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.95 77.41 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -145.02 115.33 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -157.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.13 -3.96 58.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 52.66 38.56 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.2 m -116.49 -48.1 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -128.89 -178.58 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.5 p -135.72 144.61 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 167.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -123.96 126.42 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.36 169.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 137.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 172.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.05 139.35 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 153.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' VAL . . . . . 0.507 ' HB ' HD11 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -112.27 129.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 169.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 150.68 44.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -167.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.84 146.64 41.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -172.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 128.41 -98.76 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -171.89 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 110.31 163.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -165.2 35.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 -160.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -132.53 -56.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.248 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 128.04 56.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -175.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.23 92.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -174.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.91 -11.06 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -164.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.14 27.24 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -137.25 157.63 46.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -76.57 119.48 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -168.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 88.1 p -75.7 157.69 33.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -172.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.539 ' O ' HD13 ' A' ' 454' ' ' LEU . 0.9 OUTLIER -163.0 66.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 113.8 113.56 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 151.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -102.33 146.19 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 110.363 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.23 146.83 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.923 167.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -145.08 153.45 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.24 136.86 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -83.97 144.2 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 174.69 -42.7 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -163.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.41 141.68 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -176.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -163.052 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.65 106.01 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -169.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -101.71 107.51 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.49 98.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.9 m -78.74 143.6 36.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.63 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 168.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -120.64 123.38 42.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -162.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.5 tt -80.78 127.3 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.06 170.28 16.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.43 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.88 -16.77 61.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.56 8.09 58.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.5 mt -74.94 141.16 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.246 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.524 ' HG ' HD23 ' A' ' 399' ' ' LEU . 3.8 mm? -81.65 98.66 8.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 166.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 118.43 12.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.617 155.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 88.2 t -121.72 134.37 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 166.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -150.08 151.2 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 -170.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -119.48 121.53 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.226 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -112.09 117.69 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 -170.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.8 120.42 31.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -15.72 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 173.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.75 -57.7 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.5 t -97.17 -27.24 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.977 -168.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.39 10.4 70.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -80.29 145.73 31.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.297 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -138.44 93.38 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -84.43 137.02 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 152.06 51.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -161.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.3 136.74 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 175.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 3.0 p -122.81 114.65 20.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.404 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' ILE . . . . . 0.582 HG13 HD21 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -126.0 141.97 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 -172.236 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -92.09 -57.91 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -157.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 58.92 50.77 8.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 167.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 17.9 t -110.36 48.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.2 t 56.47 76.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.925 -178.721 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 49.2 m -54.12 136.92 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.493 HD23 HD13 ' A' ' 484' ' ' LEU . 8.9 tp -140.98 107.37 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -106.74 175.8 21.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.6 pt -118.53 168.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 0.723 . . . . 0.0 109.303 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.59 108.97 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 17.3 p -102.68 176.5 5.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.434 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.5 ttm -48.71 127.82 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 100.24 25.72 8.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 170.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 61.36 36.14 92.03 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.12 140.51 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -76.89 144.02 39.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.5 m -135.0 119.18 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 167.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 42.2 m -71.79 80.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 170.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 60.6 mt -83.75 -10.91 57.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.02 142.77 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -115.97 166.35 12.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -166.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -54.34 -44.6 72.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -111.35 50.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.377 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 420' ' ' THR . 87.6 m -76.42 61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 170.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.5 m 40.33 59.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 162.48 57.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -168.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 164.32 88.62 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 120.95 -2.521 . . . . 0.0 110.975 -21.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 416' ' ' THR . 15.3 t -160.07 174.79 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -150.83 96.54 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -101.08 142.49 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 73.3 p -146.45 69.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.958 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 425' ' ' VAL . 0.3 OUTLIER -174.44 174.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -175.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 424' ' ' GLN . 12.0 m 32.57 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 -167.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.591 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 0.3 OUTLIER -145.4 106.81 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 173.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 48.9 m -143.12 153.66 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -173.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -79.86 132.08 36.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.61 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -164.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -84.88 88.17 7.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -161.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -67.84 -30.94 70.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.45 0.61 57.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -166.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -114.04 -172.21 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.29 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 p -130.74 43.44 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 158.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.17 167.22 30.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -172.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 4.8 p -109.82 143.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 68.4 p -138.68 94.19 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -80.06 132.98 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -116.62 135.63 53.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 166.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 440' ' ' VAL . 0.9 OUTLIER -102.91 117.25 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -169.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 8.7 mt -118.35 103.49 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -162.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.82 139.42 38.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 114.88 157.17 11.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -103.61 108.83 20.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.53 136.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -171.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -64.47 -61.64 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.252 -169.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -67.0 139.75 57.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.86 60.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.76 -8.7 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.61 15.13 23.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -131.72 152.74 50.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.56 94.44 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -159.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 96.6 p -75.51 146.95 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 109.982 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -148.2 13.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 174.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -166.88 142.0 7.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -160.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -165.85 154.63 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.285 170.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 148.89 26.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 111.082 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.95 158.1 42.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -168.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 497' ' ' GLN . 39.4 tp -154.86 130.34 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.86 151.01 24.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.55 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.44 151.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -168.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -155.84 152.87 24.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 167.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.41 151.01 74.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 61.2 5.58 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.27 -37.76 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -129.43 29.43 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 65.3 mtt 44.28 63.2 8.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 111.051 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -149.86 101.5 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.24 174.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -135.1 129.26 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -164.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -135.11 131.72 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 426' ' ' PHE . 21.3 t -110.9 132.3 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.66 145.78 37.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 54.2 m-85 -105.13 94.42 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.56 121.75 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.415 HD11 HD12 ' A' ' 484' ' ' LEU . 0.3 OUTLIER -104.89 129.32 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 178.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.93 175.23 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.28 94.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.218 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.87 -17.61 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 96.21 23.8 16.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.8 mt -73.5 131.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.493 HD13 HD23 ' A' ' 399' ' ' LEU . 0.4 OUTLIER -81.18 105.61 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 171.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -93.1 92.1 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.17 127.03 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -172.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 47.0 t -139.43 127.41 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.97 -158.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -113.68 133.33 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -134.53 115.58 14.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -96.13 110.01 22.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -78.09 -25.07 47.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -76.23 -48.93 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 28.0 t -82.82 -24.97 33.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.27 70.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.29 141.14 35.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.273 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.42 140.21 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 154.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . 0.464 ' HB2' HD13 ' A' ' 459' ' ' LEU . 0.4 OUTLIER -154.45 134.81 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 172.002 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -150.27 154.28 37.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.244 -163.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.88 134.74 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -165.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 12.4 p -111.65 126.73 55.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.04 124.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -56.86 159.2 4.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -133.72 57.09 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.322 169.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 81.0 p -156.89 159.44 38.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 41.0 t 51.47 81.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -173.25 173.84 45.81 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 64.1 tp . . . . . 0 C--O 1.209 -1.056 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 -175.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.7 m -60.84 93.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 166.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 400' ' ' GLY . 6.8 tt -79.89 127.41 32.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 171.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.518 ' N ' HD23 ' A' ' 399' ' ' LEU . . . -141.2 145.84 16.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.062 169.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -92.96 165.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.47 92.72 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.5 p -91.8 146.98 23.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.3 ttm -50.24 133.77 23.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -162.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.95 -17.12 6.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 82.11 31.46 31.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -173.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 13.1 p -140.88 131.92 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -77.49 154.09 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 93.8 m -130.69 113.01 13.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 172.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 63.2 m -65.35 73.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 163.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.53 -19.31 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.3 tt -140.4 149.66 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -139.77 166.93 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -164.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -75.65 -7.91 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.38 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -120.51 60.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 168.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.593 HG22 HG21 ' A' ' 420' ' ' THR . 51.1 m -113.8 60.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.59 1.182 . . . . 0.0 110.339 164.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 89.4 m 67.18 -75.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.456 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 29.2 mt 60.78 92.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 175.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.3 Cg_endo -75.11 165.53 85.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.0 20.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.593 HG21 HG22 ' A' ' 416' ' ' THR . 8.8 t -163.35 -178.66 6.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 150.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.65 122.9 15.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -124.67 155.99 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 32.1 t -149.52 51.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -58.63 155.59 12.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.3 134.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -144.12 82.27 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -60.26 144.92 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.06 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 5.6 p -79.01 123.84 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.58 -6.48 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 -167.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.65 80.26 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 168.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -68.9 -27.02 65.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 109.303 -166.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -71.95 -26.72 62.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -92.49 135.93 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.238 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 70.2 m -82.58 63.13 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.22 172.56 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.3 p -129.6 136.67 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -121.3 110.52 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.374 -172.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.23 134.17 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.373 170.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -137.91 107.57 6.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 56.0 t -74.31 134.48 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.263 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.92 160.41 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 168.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -156.1 158.42 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.333 165.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 145.18 -142.08 10.47 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.517 1.136 . . . . 0.0 111.06 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -145.32 39.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.19 117.82 16.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 168.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.25 -39.33 68.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 -164.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -61.57 119.19 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.18 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -150.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.84 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.79 -2.14 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -105.07 162.52 13.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -68.63 137.28 54.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 36.7 p -78.29 152.13 32.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 8.1 tp -152.1 53.41 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 77.29 171.57 35.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.31 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.338 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.92 137.43 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -177.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -141.72 153.77 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.71 143.98 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.0 175.63 6.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -168.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.74 21.8 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.35 162.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.372 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -110.42 114.39 55.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 171.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.91 17.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.915 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -127.09 80.75 71.1 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 165.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -45.54 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 83.01 -44.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 161.58 -37.58 0.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -63.42 -58.7 14.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -163.071 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -75.01 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -161.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.4 135.83 30.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.349 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -137.37 110.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -97.81 126.0 42.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 163.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 48.2 t -108.41 83.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 152.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 6.5 m -68.79 116.21 9.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -93.34 88.57 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.22 120.77 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -163.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tt -104.75 124.06 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.81 167.19 21.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.18 -27.97 69.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.93 -18.0 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.22 13.62 51.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.6 mt -80.52 137.93 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 168.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.436 HD12 HD22 ' A' ' 399' ' ' LEU . 0.2 OUTLIER -87.68 96.99 10.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 171.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -77.06 95.71 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 109.56 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.423 HG23 HD22 ' A' ' 484' ' ' LEU . 56.8 t -96.56 125.31 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 152.45 46.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 -173.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.08 140.84 46.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.437 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 1.0 OUTLIER -146.99 113.71 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -174.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.65 123.33 39.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.242 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -76.06 -16.13 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 168.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.91 -55.89 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.7 t -102.86 -21.72 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.72 10.16 70.44 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -80.98 154.7 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.378 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . 0.437 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 19.6 pt-20 -160.07 155.91 26.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 168.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.04 179.8 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -140.69 155.17 46.55 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 -159.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.592 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -148.11 122.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 170.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.592 ' N ' HD13 ' A' ' 499' ' ' ILE . 11.6 p -102.38 129.58 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.02 124.58 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -68.8 159.21 32.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 172.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -153.66 144.5 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 4.2 t 63.54 -179.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -160.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 16.1 m 51.63 45.2 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 162.46 -154.84 25.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.107 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 67.7 tp . . . . . 0 C--O 1.208 -1.132 0 O-C-N 124.569 0.805 . . . . 0.0 109.228 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 58.5 m -51.08 112.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 399' ' ' LEU . 9.7 tt -81.79 133.2 35.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.371 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.94 159.91 28.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 166.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.6 pt -109.63 165.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.376 0.692 . . . . 0.0 109.302 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.93 84.85 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 426' ' ' PHE . 5.6 p -79.4 178.19 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.451 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 43.4 mtt -42.28 120.25 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 116.07 -19.4 13.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 85.39 41.51 7.36 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.79 139.24 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 0.0 109.327 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -74.58 106.73 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 98.5 m -97.55 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.345 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 97.0 m -65.41 82.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 164.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 411' ' ' LEU . 3.4 tm? -67.9 -53.57 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 171.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.21 133.73 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -90.78 157.46 17.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 109.329 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.0 111.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 62.47 63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -174.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 417' ' ' THR . 90.8 m -69.87 63.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 167.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 416' ' ' THR . 36.2 m 40.72 67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.6 pt -72.41 163.53 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -165.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.74 87.72 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -23.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 11.6 t -164.73 162.34 21.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -118.12 143.66 46.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -131.04 119.5 22.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.585 166.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 7.1 p -92.45 125.25 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.963 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.66 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 49.9 t -114.68 127.42 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.459 ' CD1' HG22 ' A' ' 403' ' ' THR . 0.1 OUTLIER -163.41 39.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 173.699 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.1 p -133.15 27.53 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 39.2 p -128.49 63.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.473 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.09 -46.97 31.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -93.4 116.73 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.08 -34.45 76.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -172.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.03 -41.26 97.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.48 102.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 48.9 m -81.1 60.61 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -161.03 172.58 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.275 -174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 5.1 m -114.12 147.31 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 152.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.2 p -137.26 96.12 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.405 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.9 mp -100.94 129.54 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -109.81 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.555 158.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.34 129.96 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.53 163.74 22.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 174.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -145.76 140.48 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 166.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 161.52 -157.43 29.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.77 38.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 447' ' ' ARG . 5.2 mtm180 -119.0 10.89 12.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -170.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 68.44 -76.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.275 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 445' ' ' ARG . 6.6 mtp-105 -65.64 138.78 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.223 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -24.11 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.233 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.18 -9.9 58.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.32 0.01 24.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.41 148.14 31.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -160.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -81.02 110.92 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -166.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 31.1 p -79.59 147.71 31.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.54 21.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 175.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -179.8 147.63 7.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -169.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -165.6 148.89 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.365 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -164.56 161.32 21.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.963 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -136.19 170.13 16.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 16.6 tp -142.61 101.92 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 160.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.14 150.42 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 82.11 27.16 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -172.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 472' ' ' ILE . 5.2 tt -74.7 144.41 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -152.44 80.34 5.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -166.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 158.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.36 160.8 69.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 160.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.25 120.5 11.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 100.89 -10.06 58.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.428 ' N ' ' HD3' ' A' ' 470' ' ' PRO . 64.3 mtt 48.36 63.06 10.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 0.803 . . . . 0.0 111.0 -175.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -74.96 -178.64 4.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 168.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -137.76 153.63 49.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 462' ' ' ILE . 1.8 tp -97.5 140.19 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 165.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -137.44 102.61 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.71 96.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.213 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.2 m -74.02 140.2 45.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 -169.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -117.46 91.1 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 160.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -110.51 119.63 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.19 124.24 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -173.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.8 168.21 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -167.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.12 77.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.96 -17.55 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 94.64 18.84 33.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 483' ' ' ILE . 2.1 mp -95.27 139.43 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.215 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 17.2 tp -88.79 113.95 24.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 168.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -87.04 114.9 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.569 167.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.32 130.71 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 88.3 p -149.9 131.57 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.56 102.17 14.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -100.67 107.88 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.5 116.64 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -77.06 -25.43 52.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.351 -171.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -84.91 -48.66 9.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.37 1.044 . . . . 0.0 109.268 -173.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 32.7 t -74.27 -30.75 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.57 84.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -81.23 148.99 29.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -138.33 119.93 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 167.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -102.93 126.86 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -102.83 151.65 22.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 -164.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.656 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.47 124.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 162.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.656 ' N ' HD13 ' A' ' 499' ' ' ILE . 22.5 p -98.98 128.35 45.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -135.49 137.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 174.406 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -59.15 161.23 5.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.26 156.64 48.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 3.3 t 74.05 115.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.1 t 60.26 -166.96 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 59.1 35.86 85.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.71 ' C ' HD22 ' A' ' 507' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.209 -1.029 0 O-C-N 124.557 0.799 . . . . 0.0 109.379 -168.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 38.6 m -68.94 121.65 17.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.069 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 400' ' ' GLY . 6.8 tt -86.97 135.28 33.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.601 ' N ' HD23 ' A' ' 399' ' ' LEU . . . -145.41 143.86 12.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 172.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.461 HD13 ' CE1' ' A' ' 476' ' ' PHE . 1.7 pt -95.27 151.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -172.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -79.56 116.85 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.315 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . 0.434 HG23 HG13 ' A' ' 401' ' ' ILE . 26.6 p -114.17 169.48 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 0.0 110.414 166.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 36.7 ttm -50.51 138.28 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 114.39 -14.49 20.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 68.75 42.52 79.15 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.91 137.59 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -167.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 9.5 ttt -79.41 99.58 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 111.09 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 84.8 m -75.27 88.97 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 55.6 m -70.19 76.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.751 HD22 ' O ' ' A' ' 411' ' ' LEU . 0.0 OUTLIER -82.08 -5.7 58.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -177.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.86 149.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.241 172.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.2 20.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -50.2 -37.86 37.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -111.42 61.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -175.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.53 HG22 HG21 ' A' ' 420' ' ' THR . 37.8 m -92.62 46.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 57.2 m 61.31 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 416' ' ' THR . 2.6 mt 67.18 132.86 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.312 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.46 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.0 158.41 99.02 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.991 -1.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.53 HG21 HG22 ' A' ' 416' ' ' THR . 8.0 t -164.63 169.48 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.419 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -135.44 130.56 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -126.62 152.22 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.0 p -163.01 171.69 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.079 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 65.01 174.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 2.9 t 56.87 36.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -159.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -148.62 150.91 34.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.4 m -175.68 176.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -167.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.1 p -77.53 74.06 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.25 77.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.02 130.25 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -161.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 52.31 50.5 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.356 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 49.7 m -160.19 -51.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -106.03 167.1 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.7 p -131.84 118.29 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 7.5 t -101.02 135.54 42.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 172.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.3 mp -118.6 127.88 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 163.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.52 109.08 19.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.594 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.8 131.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 3.1 mt -120.68 167.52 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 166.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.77 139.46 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 153.73 -134.15 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.02 41.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 -170.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.31 160.09 34.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -80.62 -56.28 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -85.6 146.35 26.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -80.77 -15.46 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -160.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.34 -9.45 58.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.32 12.28 18.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.354 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.07 148.55 42.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.264 -169.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.78 142.7 32.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -169.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 11.8 p -80.52 160.92 25.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -174.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.21 48.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 163.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 64.57 -167.21 29.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -155.6 163.75 39.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.246 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.75 143.42 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 168.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.13 137.92 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.6 148.29 30.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 172.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.61 163.83 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.273 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.61 -43.78 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.33 144.05 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -170.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -96.85 147.28 32.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 166.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.71 152.63 75.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.46 3.05 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -66.53 -37.2 84.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 -162.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -135.43 40.5 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 47.1 61.73 13.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 111.066 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.27 10.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 -163.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -162.88 153.32 16.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.11 137.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -171.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -126.33 139.35 53.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 157.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 114.98 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 161.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 2.3 m -86.93 147.34 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 401' ' ' ILE . 93.5 m-85 -138.83 89.1 2.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -133.8 124.29 26.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -157.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.6 tt -101.4 132.65 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.387 1.055 . . . . 0.0 109.353 -169.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.84 172.69 8.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.18 77.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.32 -17.02 63.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 19.39 30.93 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 483' ' ' ILE . 1.9 mp -92.36 134.24 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 109.285 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.3 tp -82.4 110.89 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.366 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -81.5 120.13 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.643 164.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 72.1 t -120.33 133.35 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -153.29 155.58 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 -171.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.76 141.89 51.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -131.84 111.07 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.52 125.27 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -173.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 169.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.97 -56.58 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.329 -170.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.8 t -99.94 -11.27 20.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.934 -171.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 79.24 10.56 85.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -77.29 157.08 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.361 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -148.27 131.43 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 162.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -129.97 139.83 51.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 146.45 49.91 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 130.76 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.3 p -111.02 126.63 55.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.398 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.73 132.27 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -177.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -79.69 138.83 37.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -86.06 63.18 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 14.8 t -171.39 142.13 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 26.9 t -162.35 -58.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 132.19 130.53 3.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.6 tp . . . . . 0 C--O 1.208 -1.094 0 O-C-N 124.453 0.737 . . . . 0.0 109.298 -179.075 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 40.4 m -60.32 141.72 55.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 400' ' ' GLY . 0.6 OUTLIER -102.51 117.39 34.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -177.347 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.519 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -126.12 -179.64 15.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.989 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 4.5 pt -131.91 163.87 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.355 173.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -77.91 126.98 31.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.84 164.41 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.391 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 52.6 ttm -52.23 124.89 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -163.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.73 -22.59 4.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.32 33.31 14.43 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -173.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.1 146.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -168.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.95 152.47 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.2 m -127.33 125.5 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 164.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 36.0 m -67.73 73.48 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -38.77 92.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.24 152.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.231 170.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -124.57 168.53 12.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 176.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -54.67 -42.51 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -175.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -121.22 60.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 418' ' ' ILE . 46.2 m -76.76 50.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 167.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.1 m 52.64 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 -160.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.482 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 45.8 mt 67.09 130.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -176.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.4 Cg_endo -74.93 158.08 99.2 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.089 0.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.447 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -160.92 166.28 28.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.477 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -144.46 127.14 16.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -163.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -151.44 160.68 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 424' ' ' GLN . 84.6 p -145.15 -89.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 173.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . 0.762 ' O ' HG12 ' A' ' 425' ' ' VAL . 33.4 tt0 54.69 39.84 31.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 424' ' ' GLN . 2.1 p 62.92 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 158.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -154.19 135.75 14.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.8 m -67.41 129.57 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -165.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.39 68.42 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 166.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -86.17 70.98 10.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.84 105.34 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.32 -22.62 54.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -171.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -65.65 -29.16 69.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -174.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -162.96 134.79 5.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.5 p -71.11 73.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -144.17 130.62 19.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.5 136.25 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 437' ' ' THR . 15.2 t -132.73 116.27 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.8 mp -94.22 102.23 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.182 . . . . 0.0 109.262 175.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -80.48 102.66 9.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 161.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -89.31 130.42 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -163.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.11 141.2 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -168.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -112.77 132.27 55.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 156.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.71 174.05 17.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.568 1.168 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.22 51.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.253 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.56 42.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -171.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 63.4 -89.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.96 134.07 44.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -168.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.36 80.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -163.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.99 -8.23 59.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -106.72 5.03 28.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.78 162.75 16.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -79.66 84.11 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 55.1 p -68.51 156.64 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.59 46.3 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.17 -160.83 14.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -164.12 160.08 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.252 -172.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.18 138.71 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 173.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -128.39 163.39 24.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -146.74 119.37 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 173.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -97.51 151.13 20.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -161.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.2 44.93 4.89 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.52 87.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.256 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -59.49 126.37 82.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -173.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 68.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.927 170.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.4 78.21 1.69 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 72.62 4.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -69.53 95.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.75 16.55 44.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.426 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 64.1 mtt 53.72 62.68 8.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 154.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 75.44 152.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 7.0 tp -78.98 135.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 162.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -119.41 102.15 8.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.382 169.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.86 119.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 167.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . 0.489 ' OG1' ' NZ ' ' A' ' 489' ' ' LYS . 79.0 m -97.67 145.25 26.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.453 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.43 87.75 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -125.65 124.38 41.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.7 tt -113.47 128.23 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -170.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.55 -179.6 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.7 70.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -171.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.84 -18.01 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.48 45.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.31 129.12 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 172.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 119.62 23.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 170.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -92.83 104.23 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.591 172.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.41 114.88 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.5 p -146.71 144.69 29.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -163.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -132.23 127.67 36.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.489 ' NZ ' ' OG1' ' A' ' 475' ' ' THR . 14.4 pttm -143.58 110.57 5.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -167.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.06 118.66 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -76.07 -15.76 60.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -81.38 -51.91 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.6 t -92.56 -24.68 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -167.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.77 69.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -71.26 152.18 43.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.65 134.35 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 166.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -142.61 157.24 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 164.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.82 147.06 34.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -169.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -136.77 127.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 175.163 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.611 ' N ' HD13 ' A' ' 499' ' ' ILE . 18.0 p -106.99 129.15 54.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.426 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.93 137.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.62 1.2 . . . . 0.0 109.28 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -64.93 137.15 57.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -103.22 51.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 45.3 t -165.23 -50.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 93.1 p -132.05 62.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -64.81 -58.43 9.98 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 C--O 1.208 -1.094 0 O-C-N 124.537 0.786 . . . . 0.0 109.317 177.132 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 50.8 m -78.04 134.96 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -164.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 400' ' ' GLY . 1.9 tm? -85.14 128.22 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -142.76 177.34 21.87 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.443 1.09 . . . . 0.0 111.036 175.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.65 171.23 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 0.721 . . . . 0.0 109.331 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.77 135.7 36.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 165.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 6.8 p -131.7 175.74 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 171.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 26.8 tpp -48.86 136.9 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -168.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 107.57 -2.67 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 67.86 35.54 85.03 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.1 129.31 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.239 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 4.2 ptm -85.67 151.73 23.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -163.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -104.97 113.11 26.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 67.5 m -66.88 71.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 162.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.456 HD11 HD11 ' A' ' 484' ' ' LEU . 0.8 OUTLIER -70.66 -29.2 65.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -175.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.21 138.09 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -107.86 164.56 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -54.78 114.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 4.0 t30 62.78 61.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.491 HG22 HG21 ' A' ' 420' ' ' THR . 94.3 m -72.55 63.43 0.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 168.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 416' ' ' THR . 1.9 t 33.76 59.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 174.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.7 pt -67.78 160.67 72.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.88 89.69 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.982 -17.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.491 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -162.17 170.33 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -141.19 136.75 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -169.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -129.14 159.17 36.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.611 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.3 p -163.31 161.12 24.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . 0.421 ' O ' ' HB ' ' A' ' 425' ' ' VAL . 1.2 tt0 62.08 -167.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 173.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 424' ' ' GLN . 21.8 t 72.22 -58.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.413 ' CE2' ' CZ ' ' A' ' 476' ' ' PHE . 16.2 p90 -128.64 143.38 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 156.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 2.3 m -171.46 -63.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 44.2 p -134.1 39.84 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.88 77.3 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -151.49 126.84 9.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -163.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.54 -19.08 62.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -162.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -52.15 -46.97 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.226 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 46.21 56.85 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 m -163.59 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -134.43 146.58 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 170.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.91 132.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 20.0 p -123.91 98.29 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.84 126.37 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.64 114.61 23.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.642 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.14 131.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -171.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.13 142.28 51.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -113.51 124.28 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.283 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 173.22 -126.1 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -166.95 75.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 70.89 -169.72 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 158.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 68.41 -160.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.614 1.196 . . . . 0.0 109.293 -175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -68.01 144.16 55.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 -172.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.04 65.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.35 -11.59 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.36 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -96.12 -10.38 28.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -115.26 151.14 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -167.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -87.35 110.3 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.301 -158.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 13.6 p -71.86 144.32 49.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 171.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.665 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -151.82 14.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 171.347 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -161.39 136.85 4.61 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -158.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -157.03 139.46 14.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 0.803 . . . . 0.0 110.317 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.53 145.84 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -139.25 160.28 40.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 -169.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 13.2 tp -156.89 142.4 17.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.85 150.91 23.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -166.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.56 34.21 1.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 35.0 mm -85.65 78.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.256 164.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -68.18 125.35 91.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -166.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -34.67 3.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 171.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -82.08 156.14 69.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -172.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -22.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.919 167.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.42 114.37 3.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.55 -19.2 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -171.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 64.2 mtt 49.11 60.87 15.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.77 28.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -153.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -158.37 129.26 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.31 137.26 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 -168.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -144.45 142.02 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.253 167.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.01 108.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.24 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 97.6 m -88.37 145.17 25.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 -172.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.413 ' CZ ' ' CE2' ' A' ' 426' ' ' PHE . 92.2 m-85 -128.75 89.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 174.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.95 122.84 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.6 tt -102.98 129.99 53.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -95.91 179.58 5.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.57 70.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -172.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.14 -18.05 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.04 20.73 52.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.7 mt -96.25 138.99 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 168.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.47 HD13 HD12 ' A' ' 399' ' ' LEU . 0.4 OUTLIER -85.87 119.15 25.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 172.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -92.16 110.52 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.523 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 73.6 t -107.11 116.41 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 4.6 m -137.47 139.7 40.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -162.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -123.45 145.0 49.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -141.1 104.4 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.12 124.68 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -68.34 -33.19 73.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 169.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -70.0 -46.57 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 0.0 109.319 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 4.8 t -90.83 -20.33 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.23 3.14 82.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.909 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -81.75 151.11 27.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 109.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -143.97 145.76 32.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 158.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.38 164.11 27.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -140.29 147.32 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.5 135.78 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 170.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 34.6 p -116.64 120.8 39.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 110.377 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.81 125.44 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -175.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.81 145.77 44.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -117.84 102.36 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 47.1 t -71.11 87.26 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 58.4 m -76.77 71.42 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -160.68 -90.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 172.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 67.6 tp . . . . . 0 C--O 1.209 -1.064 0 O-C-N 124.45 0.735 . . . . 0.0 109.325 176.837 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 43.7 t -43.76 115.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.053 175.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 399' ' ' LEU . 2.1 tm? -94.91 119.94 34.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -170.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -138.26 -172.28 12.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.939 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.68 172.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.331 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 121.23 24.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 161.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 2.7 p -112.06 173.8 6.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 59.4 mtm -49.59 143.0 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -163.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 92.6 1.52 68.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.412 1.07 . . . . 0.0 111.038 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 66.7 48.69 60.39 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.41 137.66 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.23 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.46 148.27 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 94.1 m -141.29 120.57 13.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 22.8 m -79.9 117.55 20.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 156.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.825 ' O ' HG23 ' A' ' 412' ' ' ILE . 0.0 OUTLIER -115.23 1.43 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -172.361 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 411' ' ' LEU . 3.0 pt -157.52 151.65 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 147.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -91.39 170.12 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -168.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 415' ' ' ASN . 20.1 mmtt -38.81 130.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 414' ' ' LYS . 51.5 t30 80.66 -61.99 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 174.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 417' ' ' THR . 85.9 m 37.26 60.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.453 -161.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 416' ' ' THR . 57.0 m 40.38 76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.44 157.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.8 pt -67.47 173.28 2.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -163.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.49 29.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.97 -39.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.429 HG21 HG22 ' A' ' 416' ' ' THR . 7.7 t -166.34 159.0 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.64 135.3 46.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -175.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -137.16 163.52 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.637 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.0 t -145.97 -71.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -85.34 63.1 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 426' ' ' PHE . 11.0 m -90.19 -24.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' HG23 ' A' ' 425' ' ' VAL . 0.9 OUTLIER -153.38 39.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 157.175 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 7.2 p 58.48 -165.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 20.6 m -78.69 71.32 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 169.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.31 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -156.79 98.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -166.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -67.39 -28.19 67.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.51 -40.35 96.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -174.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 46.45 70.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 -168.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 175.15 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -169.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -158.67 129.31 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.362 -174.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 436' ' ' VAL . 30.8 m -78.41 91.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 28.0 p -87.21 89.89 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.2 mp -80.83 102.07 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.386 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.43 110.35 16.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 160.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.48 124.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.76 150.42 36.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -166.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -133.09 165.63 24.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 149.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.62 -175.97 42.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -147.94 131.34 16.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 0.764 . . . . 0.0 110.246 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.0 21.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 166.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 44.6 tttm 68.76 -70.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -169.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -74.73 134.81 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.9 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.07 -8.91 59.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -162.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -107.11 0.1 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -92.29 161.16 14.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.25 82.59 6.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 19.8 m -64.24 158.95 21.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 34.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 127.11 -167.09 19.65 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -161.17 161.95 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.294 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.14 148.0 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 170.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -137.49 151.18 48.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -172.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.64 127.62 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . 0.402 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 16.8 p-10 -100.84 161.28 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -169.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 89.3 30.4 14.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.1 mt -112.59 136.98 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -128.85 88.53 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.62 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.426 1.75 . . . . 0.0 110.98 165.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -147.57 160.22 39.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.029 165.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -64.34 99.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 131.02 -29.56 3.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 39.9 ttm 46.82 62.45 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 111.024 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 178.43 7.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.595 1.839 . . . . 0.0 110.963 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -141.32 118.89 11.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 172.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.4 tp -147.52 115.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -162.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.15 129.1 37.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 163.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 42.7 t -104.45 98.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 133.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . 0.444 HG22 ' OD2' ' A' ' 477' ' ' ASP . 0.3 OUTLIER -68.31 144.08 54.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.377 -171.329 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -138.5 89.1 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . 0.444 ' OD2' HG22 ' A' ' 475' ' ' THR . 0.0 OUTLIER -122.96 123.22 40.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -166.136 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.12 123.39 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -87.71 167.39 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -173.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.65 71.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.14 -17.16 61.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.12 22.55 22.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 16.8 mt -91.33 139.73 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.4 104.59 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.51 113.78 21.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.45 133.55 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 91.7 p -158.17 170.54 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.94 139.03 44.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -141.23 102.08 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -170.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.04 117.16 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.95 -32.44 69.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.95 -49.0 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 30.9 t -83.43 -27.89 29.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.035 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 86.05 9.86 76.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.402 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 29.0 tttt -69.45 146.44 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 0.739 . . . . 0.0 109.294 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -159.04 109.99 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -169.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -139.05 139.3 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 155.6 48.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -159.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.13 128.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 2.4 p -109.63 127.53 54.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.372 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -132.17 116.55 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.41 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -59.31 145.4 43.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -68.35 77.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 2.8 t -74.38 -173.88 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.128 . . . . 0.0 110.001 -162.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.9 t -150.84 153.56 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.069 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 168.21 -175.82 42.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.208 -1.108 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 57.5 m -62.96 88.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.5 tp -84.21 137.19 33.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 163.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -140.65 174.97 22.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 476' ' ' PHE . 0.8 OUTLIER -125.89 158.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 178.097 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.71 102.53 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 172.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 404' ' ' MET . 65.4 p -108.55 -174.4 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 164.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 403' ' ' THR . 4.1 mmt 3.33 87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -161.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 87.58 -71.29 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 152.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . -163.96 43.07 0.32 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.0 p -133.87 135.17 55.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.76 138.18 41.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 53.4 m -110.84 122.75 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.393 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.8 m -59.71 99.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 169.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.444 HD12 ' HB ' ' A' ' 412' ' ' ILE . 2.3 pp -74.38 -28.37 61.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.444 ' HB ' HD12 ' A' ' 411' ' ' LEU . 0.1 OUTLIER -146.89 151.46 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -101.83 155.9 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.21 -29.64 69.94 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -111.76 60.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.2 m -98.4 25.68 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 167.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 27.5 m 60.93 69.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 419' ' ' PRO . 19.5 mm -66.43 147.55 98.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.605 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 165.24 86.4 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.049 -15.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 1.4 t -155.07 157.51 37.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -162.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -144.28 131.13 20.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -143.13 136.1 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.588 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.45 160.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 60.04 30.99 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.08 20.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -146.67 99.87 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -172.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -77.3 146.15 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -175.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 14.9 p -79.51 71.79 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.42 99.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.4 133.8 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.34 -17.8 62.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.58 -40.43 83.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 49.13 49.22 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.1 t -168.21 -47.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.039 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -121.58 -179.31 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.74 132.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 164.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 41.4 p -133.63 99.13 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -169.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.21 125.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -96.85 120.42 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 149.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 440' ' ' VAL . 1.2 t -81.33 120.04 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 172.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.08 135.0 35.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -111.23 163.26 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 171.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 119.68 156.96 10.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.073 . . . . 0.0 111.027 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -84.69 67.82 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.272 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -133.86 130.05 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -74.82 -32.71 62.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -78.54 126.04 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.74 83.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -169.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -91.78 37.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -168.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 1.6 11.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 165.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -118.03 164.69 14.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 0.0 109.312 -155.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -77.83 95.42 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 -172.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 85.4 p -62.0 146.12 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 170.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.43 37.15 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 141.69 170.29 12.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -164.22 157.17 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 0.743 . . . . 0.0 110.323 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.64 160.34 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -136.16 156.58 48.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -144.97 116.74 8.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -94.44 118.3 31.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 162.11 48.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.81 66.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.432 0.725 . . . . 0.0 109.259 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.1 136.18 41.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -170.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 77.9 3.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.012 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 466' ' ' PRO . . . -135.57 162.14 58.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 177.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 465' ' ' ALA . 18.3 Cg_endo -74.96 -174.53 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -163.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 77.7 -60.91 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 165.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 160.97 45.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 168.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.54 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -59.45 -52.72 72.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 111.052 -175.462 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.1 Cg_endo -75.06 63.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 0.0 110.927 -169.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -93.32 52.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 110.236 -162.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 4.3 tp -83.93 145.5 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -168.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.31 134.33 50.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 154.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.38 128.76 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 85.3 m -97.81 145.11 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 110.379 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 401' ' ' ILE . 96.7 m-85 -140.73 89.65 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.948 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -137.16 124.82 22.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -155.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.498 HG13 HD22 ' A' ' 484' ' ' LEU . 3.5 mp -87.92 123.6 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.09 173.6 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.33 -28.41 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.334 -168.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.33 -17.96 63.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.48 22.36 37.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.52 139.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.354 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.498 HD22 HG13 ' A' ' 478' ' ' ILE . 0.0 OUTLIER -75.35 114.18 13.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 165.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -86.43 121.28 28.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 159.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 97.0 t -125.46 131.21 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 99.2 p -154.18 140.99 19.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -116.23 137.54 52.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -143.27 140.79 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.94 126.44 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.252 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.66 -16.02 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -172.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -64.38 -57.63 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 34.9 t -92.36 -29.6 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 4.29 78.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.57 160.19 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.81 147.68 27.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 110.307 -158.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -133.36 137.24 45.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 147.75 49.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -156.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.33 132.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.086 . . . . 0.0 109.384 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.4 p -116.25 126.06 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.53 122.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -174.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -57.3 132.37 52.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -142.14 47.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.8 t -152.84 134.16 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 22.4 m 51.99 79.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.974 -174.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -178.36 167.43 38.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.209 -1.033 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -175.734 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 169.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.081 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.688 HD22 ' HB ' ' A' ' 440' ' ' VAL . 0.3 OUTLIER -148.82 78.45 1.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 170.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.36 153.12 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.43 1.082 . . . . 0.0 111.029 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 476' ' ' PHE . 14.9 pt -101.93 150.61 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.325 -167.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.33 99.05 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.69 -179.61 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.397 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 73.8 mtp -47.16 128.0 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 -165.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 91.9 25.69 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 64.72 34.82 90.91 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.7 p -114.93 139.62 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 26.0 ttt -76.4 128.71 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 85.1 m -111.61 115.6 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 162.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 20.2 m -71.95 68.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.437 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 52.0 tp -73.4 -27.1 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.76 136.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 174.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -108.84 166.21 10.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.45 116.94 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 54.66 60.13 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -170.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 63.0 m -51.64 -65.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.535 ' C ' HG22 ' A' ' 418' ' ' ILE . 1.1 m -161.19 -32.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 110.351 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.535 HG22 ' C ' ' A' ' 417' ' ' THR . 14.9 tt 49.49 80.53 0.29 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 144.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.94 147.33 89.03 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.984 16.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 14.2 t -163.36 -175.44 4.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 152.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.85 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 177.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -130.74 160.08 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 165.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 65.5 p -141.04 142.41 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.058 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 61.38 -162.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 4.1 t 54.24 47.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -158.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.462 ' CE1' HD11 ' A' ' 438' ' ' ILE . 32.8 t80 -150.03 145.6 26.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 111.076 165.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 53.3 p -164.03 167.34 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 48.8 p -91.99 144.95 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.47 -61.01 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -89.51 139.05 30.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.342 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -68.36 -29.46 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.58 -41.2 94.16 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -86.11 77.27 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.3 m -84.03 44.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.023 -169.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -150.66 133.38 15.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -160.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 436' ' ' VAL . 16.9 m -80.61 90.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 175.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 437' ' ' THR . 11.3 t -84.6 105.14 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 162.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.566 HG21 HG11 ' A' ' 486' ' ' VAL . 2.7 mp -102.64 100.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 168.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -67.0 139.66 57.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 143.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.688 ' HB ' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -111.6 142.07 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 162.321 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.2 117.43 21.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -162.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.39 132.14 34.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 172.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 140.53 -155.78 24.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 451' ' ' ASN . 40.4 tt0 -155.73 90.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 0.782 . . . . 0.0 110.38 170.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -137.86 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.226 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -77.32 -50.94 11.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -86.65 137.06 32.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.12 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -167.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.56 -6.38 33.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 444' ' ' GLU . 4.1 t-20 -111.37 145.29 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -167.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -86.77 96.06 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -154.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 83.5 p -63.58 156.87 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.634 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -141.51 30.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 169.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.12 174.64 13.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -157.18 168.78 26.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.02 147.53 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 168.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.97 133.55 46.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.0 tm? -139.89 122.64 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . 0.422 ' N ' HD13 ' A' ' 459' ' ' LEU . 17.2 p-10 -100.38 120.0 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -166.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 153.34 52.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.9 tp -71.99 156.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -113.99 95.22 37.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 80.26 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.602 1.843 . . . . 0.0 111.006 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -155.22 160.45 30.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -49.18 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.764 . . . . 0.0 110.951 161.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.7 100.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 105.47 22.46 8.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 8.6 mtt -52.93 -44.67 97.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 160.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 83.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 154.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -160.78 -39.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 168.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 8.1 tp -78.23 144.88 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 148.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.41 105.57 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 171.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.78 118.14 52.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 26.6 m -101.93 145.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 401' ' ' ILE . 15.1 m-85 -131.61 89.12 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 170.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.08 121.56 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -166.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.17 125.75 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -170.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -99.97 168.43 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -167.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.81 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -17.62 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.81 9.71 57.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.73 137.49 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.411 HD23 HG11 ' A' ' 440' ' ' VAL . 18.5 tp -91.91 106.6 18.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 159.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -75.21 123.1 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 161.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 438' ' ' ILE . 57.5 t -118.25 138.62 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 172.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 43.7 p -153.24 154.97 35.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.63 139.13 49.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -123.85 113.67 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 174.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.01 107.04 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.59 -16.07 61.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.98 -55.71 17.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 21.7 t -102.92 -11.69 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -166.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 82.59 10.39 83.4 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -80.47 160.91 25.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 6.1 pt-20 -147.29 159.56 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.235 155.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.17 154.42 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -140.16 148.6 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -171.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.599 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -150.65 121.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -178.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.599 ' N ' HD13 ' A' ' 499' ' ' ILE . 20.5 p -105.12 125.36 50.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -130.59 142.84 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 178.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -100.43 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -153.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 50.89 45.66 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 58.1 m -149.26 156.65 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 11.7 t 54.67 53.21 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.987 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -167.2 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.209 -1.058 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 176.246 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 41.5 m -53.52 132.94 40.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 109.96 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.727 HD11 HG13 ' A' ' 440' ' ' VAL . 9.2 tt -135.39 135.89 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -129.32 -179.53 16.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 162.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.26 156.03 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 0.0 109.334 171.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -79.06 102.64 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -173.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -101.23 179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 44.1 ttm -49.57 131.51 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.932 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 106.05 -14.76 44.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.73 7.33 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.8 p -133.5 133.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.245 -167.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 5.0 ptm -82.37 84.66 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -172.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 81.3 m -68.04 99.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 85.0 m -62.0 82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 165.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.21 -38.86 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.03 151.34 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 172.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -88.1 162.17 16.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.4 -35.83 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -93.37 50.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -26.77 66.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 157.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 5.5 m 64.16 31.5 13.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.434 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 62.27 170.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 173.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 157.16 43.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.035 -2.486 . . . . 0.0 111.019 -73.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 2.3 t -169.23 131.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -101.42 119.74 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -114.92 164.71 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.643 166.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.26 157.52 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 426' ' ' PHE . 8.9 tp-100 59.37 -114.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.632 1.208 . . . . 0.0 110.269 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 94.5 t 44.06 -73.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -141.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 424' ' ' GLN . 35.9 p90 -109.61 173.07 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 57.8 p -145.36 -67.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.99 133.92 54.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -160.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -83.91 -22.41 31.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.593 1.183 . . . . 0.0 109.346 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.24 107.65 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -77.14 -24.04 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -170.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -78.85 -4.49 49.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -9.51 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p 68.22 16.6 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -152.33 171.01 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -174.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.72 139.72 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.1 p -127.34 95.83 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.388 -166.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.8 mp -79.81 106.3 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -100.97 98.69 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.558 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.727 HG13 HD11 ' A' ' 399' ' ' LEU . 3.6 t -79.08 121.32 32.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 157.03 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 177.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.95 161.0 37.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 116.93 154.27 10.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.52 97.68 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.37 169.25 18.66 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.603 1.19 . . . . 0.0 110.333 174.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -92.14 -57.02 2.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.087 . . . . 0.0 109.278 168.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -90.65 142.27 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.233 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.24 79.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -167.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.54 -7.66 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -164.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.68 14.83 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -111.59 160.25 17.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -72.78 130.15 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.378 -168.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 71.2 p -79.62 158.25 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -164.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.58 ' HB3' HG12 ' A' ' 440' ' ' VAL . 0.9 OUTLIER -159.13 57.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -177.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 66.8 177.71 8.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 169.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.62 161.43 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.278 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.41 141.03 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -123.39 158.86 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -171.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 497' ' ' GLN . 3.1 tm? -147.46 121.87 9.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -113.11 90.15 3.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -167.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -162.29 36.09 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.31 141.92 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -70.5 145.27 92.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 69.46 5.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.23 148.05 9.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 168.94 23.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 -147.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -44.43 114.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 134.99 -45.86 1.08 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.467 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 1.4 tpt -67.73 -59.46 6.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 111.032 -172.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.4 Cg_endo -75.0 144.62 30.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -157.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -86.93 82.63 7.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -173.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.68 130.7 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 -157.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.03 124.93 44.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 163.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -107.67 119.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.097 . . . . 0.0 109.342 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 18.7 m -83.31 143.15 30.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.364 -172.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 426' ' ' PHE . 48.7 m-85 -140.47 90.87 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 167.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -132.85 122.23 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -152.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.5 mm -86.05 118.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -78.23 168.15 20.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.26 -17.47 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.24 11.43 56.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 483' ' ' ILE . 1.7 mp -86.5 140.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 0.733 . . . . 0.0 109.345 170.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 1.1 pp -88.28 105.63 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -87.04 131.18 34.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.2 t -119.21 144.48 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.2 t -156.41 168.27 27.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.069 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.58 21.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 125.96 39.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.3 124.46 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -73.81 -19.41 60.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -78.24 -52.02 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 23.3 t -88.84 -26.75 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -171.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.99 11.27 67.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -77.24 151.85 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -146.69 133.35 19.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.227 149.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . 0.404 ' HB2' HD23 ' A' ' 459' ' ' LEU . 84.2 mt-30 -136.61 161.11 36.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 164.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -149.06 150.61 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 -155.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.65 138.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -175.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.9 p -116.84 125.98 52.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.08 134.2 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -178.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -88.9 155.53 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -95.86 61.23 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 42.0 p -169.18 168.03 10.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 8.3 t 67.02 99.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.057 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -55.94 -38.92 76.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 111.017 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.209 -1.067 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 -179.439 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 35.4 m -56.18 135.01 53.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 399' ' ' LEU . 3.2 tm? -111.53 123.5 50.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -172.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.412 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -146.5 176.68 25.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.927 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.79 163.44 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 109.346 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -79.09 89.17 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 22.9 p -79.39 164.65 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 51.5 ttm -51.03 119.2 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 127.33 -25.28 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -169.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.95 9.02 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.08 134.51 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.48 99.02 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 99.2 m -85.8 101.16 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 93.7 m -65.31 96.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 161.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -16.62 46.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.5 tt -150.76 134.19 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -166.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -96.35 164.07 12.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.96 -34.81 70.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -120.4 61.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 417' ' ' THR . 65.0 m -73.78 62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 170.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 416' ' ' THR . 70.0 p 37.84 68.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.77 165.76 49.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -165.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 96.5 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 -26.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 12.9 t -164.0 175.55 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.432 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -127.12 128.75 46.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -103.69 91.72 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 162.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 11.3 p -71.69 130.34 40.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 168.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -160.0 133.14 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 110.272 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 5.8 m -89.13 148.62 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.205 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.59 136.1 38.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 71.9 m -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.433 HG22 ' HB ' ' A' ' 436' ' ' VAL . 22.1 p -79.46 99.91 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.375 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.63 64.34 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -167.57 69.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 1.061 . . . . 0.0 110.263 -172.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.03 -29.14 68.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -168.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -64.54 -33.76 76.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -102.59 126.42 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 99.4 p -78.43 64.0 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.948 167.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.88 174.53 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -166.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.433 ' HB ' HG22 ' A' ' 428' ' ' THR . 0.8 OUTLIER -129.35 121.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 172.458 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.9 m -104.51 114.5 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 438' ' ' ILE . 1.8 mp -79.35 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.45 98.91 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.79 HG21 HD13 ' A' ' 501' ' ' ILE . 5.4 t -72.53 141.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -175.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.68 141.79 51.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 159.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.73 135.9 52.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.03 -148.2 12.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -147.11 39.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.323 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -120.34 147.41 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -77.24 -41.98 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -80.75 142.92 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.73 -17.9 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 0.0 109.337 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.39 60.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -109.98 -2.96 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.26 144.68 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -167.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -92.91 122.45 35.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 -154.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 20.7 p -82.95 142.07 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.997 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.19 -14.18 19.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 121.22 -156.28 16.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -168.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.14 160.82 42.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -168.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.02 136.29 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 169.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.26 160.22 23.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -165.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 459' ' ' LEU . 3.4 tm? -152.72 121.51 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -105.61 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -165.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.58 19.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 463' ' ' ASN . 3.5 tt -71.82 167.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 462' ' ' ILE . 12.7 m120 -50.62 152.61 3.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 175.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -17.37 19.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -154.47 78.1 5.21 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -68.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 57.44 28.73 15.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.326 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.22 -22.07 42.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 169.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.515 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 2.0 tpp -58.67 -55.52 45.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -164.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.7 Cg_endo -74.94 175.79 10.75 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.454 1.765 . . . . 0.0 111.055 -166.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -73.25 79.89 1.31 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.406 1.066 . . . . 0.0 110.277 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 474' ' ' VAL . 31.3 mm -106.88 91.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.54 72.56 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 176.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.469 HG23 HG22 ' A' ' 472' ' ' ILE . 73.8 t -82.44 91.52 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 158.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 12.4 m -90.18 143.81 26.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 -159.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -108.06 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 164.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.2 120.67 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -165.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.8 tt -100.69 128.25 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.49 175.25 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.196 . . . . 0.0 109.292 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.11 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.26 -17.6 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.32 53.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.22 137.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 0.0 109.305 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.61 103.11 11.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 171.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.12 98.83 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 168.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.67 111.16 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.0 p -98.96 166.15 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.933 -172.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -138.91 98.74 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 152.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -106.08 103.35 12.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.6 124.15 39.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -172.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -64.84 -32.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -67.32 -47.47 70.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 5.9 t -90.31 -30.75 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.014 -172.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.15 5.95 79.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -80.79 158.96 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.81 106.8 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 150.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -115.57 142.77 46.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 110.321 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 155.45 45.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -162.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.41 HD12 HG13 ' A' ' 501' ' ' ILE . 0.2 OUTLIER -132.78 131.78 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 176.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.99 121.87 39.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.79 HD13 HG21 ' A' ' 440' ' ' VAL . 4.8 mt -134.93 114.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -167.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -77.57 137.43 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -171.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -88.11 59.73 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 35.0 p -163.64 57.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 32.5 t -168.67 55.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.026 -174.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -134.6 165.82 24.39 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.165 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 39.3 m -63.86 109.37 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 441' ' ' LEU . 48.8 tp -88.01 132.78 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.41 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 167.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 5.2 pt -133.13 162.67 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.306 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -78.42 110.5 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 164.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 21.3 p -99.82 151.56 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.25 124.68 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 -157.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 133.39 -20.34 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.094 -167.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.36 29.32 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.48 137.71 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -169.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.8 tpp -68.13 123.48 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.0 m -111.2 110.61 21.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 164.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 87.1 m -66.87 87.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 170.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -49.06 -52.96 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 11.0 pt -147.44 160.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -87.44 166.98 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -167.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -34.25 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -120.82 61.17 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 417' ' ' THR . 32.3 m -74.97 63.07 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.187 . . . . 0.0 110.363 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 416' ' ' THR . 14.7 p 34.66 75.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.422 168.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.52 HG22 HG21 ' A' ' 478' ' ' ILE . 9.2 pt -74.49 168.58 25.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -164.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.08 32.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.945 -31.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.447 HG21 HG22 ' A' ' 416' ' ' THR . 10.9 t -164.26 178.09 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 -178.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.8 127.89 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.324 -172.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.39 165.32 20.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.681 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 5.4 m -143.65 -62.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 69.12 158.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.311 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.55 128.02 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 158.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -151.68 121.77 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 111.062 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 15.7 m -72.96 141.27 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -163.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 22.8 p -82.55 94.8 7.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.46 169.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.22 68.09 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -158.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.8 84.61 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.7 t70 53.42 -94.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -121.25 -1.68 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -165.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -105.04 157.54 17.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.239 -158.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 69.7 m -76.3 66.45 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -157.07 167.41 30.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -170.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.8 p -126.47 132.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 5.9 t -114.36 122.8 47.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.384 -169.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 438' ' ' ILE . 2.2 mp -108.04 106.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 170.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -97.74 102.58 14.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 165.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.85 120.07 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -133.19 155.15 49.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 175.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.24 144.96 30.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 168.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 134.57 -83.29 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -167.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.3 -28.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -60.36 -153.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 153.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -55.73 148.82 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -168.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.06 61.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.45 -10.71 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 -166.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -113.32 11.76 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -111.65 134.55 53.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -171.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -79.68 115.86 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.229 -155.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 94.3 p -70.98 157.06 38.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.073 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -156.39 35.9 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.43 164.43 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.7 161.1 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -167.57 138.91 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -133.53 157.66 45.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 18.3 tp -126.79 115.84 19.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -99.2 145.87 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.56 44.47 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.406 HD13 HD13 ' A' ' 472' ' ' ILE . 3.3 mt -106.24 101.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 109.252 177.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -98.55 161.97 23.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.17 33.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 160.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -153.6 155.22 31.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . -115.08 37.23 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 24.3 mtt -50.28 -43.07 77.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 111.066 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 87.98 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 110.933 148.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -79.83 -45.68 18.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.24 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 472' ' ' ILE . 11.4 tp -131.89 155.92 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -155.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -140.2 125.66 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.278 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 13.8 t -116.41 115.49 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.26 144.17 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -172.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -130.71 89.29 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 161.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -127.69 124.13 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -161.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.52 HG21 HG22 ' A' ' 418' ' ' ILE . 3.1 mm -81.62 126.52 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.16 169.35 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.38 -31.56 72.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -171.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.54 -17.59 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.55 22.22 27.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.12 134.62 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.72 101.68 11.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 172.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -73.93 122.84 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.623 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 78.1 t -120.23 134.85 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 94.7 p -153.47 152.76 31.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.76 50.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 168.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.0 125.89 14.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.25 125.83 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -75.02 -28.09 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -81.95 -46.11 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.268 -172.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 27.4 t -91.43 -34.45 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -172.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.31 7.07 77.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -80.87 140.6 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.22 157.24 38.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.277 -169.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.65 144.31 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 172.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -110.14 160.03 16.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -175.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -149.59 125.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 168.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.577 ' N ' HD13 ' A' ' 499' ' ' ILE . 0.8 OUTLIER -114.68 127.15 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -177.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -137.02 125.29 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.351 -175.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -64.76 138.13 58.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -83.95 96.02 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 30.1 t -76.9 -168.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.034 -165.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 78.1 p -142.49 35.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -163.65 179.53 38.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 62.5 tp . . . . . 0 C--O 1.208 -1.084 0 O-C-N 124.53 0.782 . . . . 0.0 109.351 -177.008 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 42.3 m -54.43 112.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 440' ' ' VAL . 4.8 tp -79.69 107.78 12.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 156.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.78 145.65 17.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 165.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.4 HD13 ' CE2' ' A' ' 476' ' ' PHE . 0.1 OUTLIER -109.98 156.49 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -174.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.35 104.9 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.2 OUTLIER -121.22 -173.7 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 -173.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 403' ' ' THR . 5.6 ttm -35.63 122.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 95.17 2.54 62.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 70.71 31.51 67.6 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.43 141.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.267 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.98 68.32 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -174.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.4 m -53.06 109.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 82.8 m -67.1 84.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 426' ' ' PHE . 10.5 tt -67.82 -55.03 14.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.91 132.43 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.48 163.02 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -170.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -59.3 109.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.21 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.9 t30 59.06 60.37 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.391 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.459 HG21 HG21 ' A' ' 420' ' ' THR . 37.8 m -49.53 -72.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 418' ' ' ILE . 83.6 m -155.87 -40.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 419' ' ' PRO . 18.8 pt 42.75 79.08 0.35 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 166.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 418' ' ' ILE . 18.5 Cg_endo -74.97 159.0 98.65 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.085 15.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.459 HG21 HG21 ' A' ' 416' ' ' THR . 0.7 OUTLIER -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 157.377 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -144.57 135.31 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -150.92 138.78 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.613 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 94.0 p -141.01 164.19 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . 0.526 ' N ' HG22 ' A' ' 425' ' ' VAL . 0.0 OUTLIER 76.73 -51.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 178.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . 0.526 HG22 ' N ' ' A' ' 424' ' ' GLN . 4.8 m 35.06 -115.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 150.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.451 ' H ' HG23 ' A' ' 425' ' ' VAL . 11.7 m-85 -94.05 165.92 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 4.6 m -159.5 -68.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 169.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 36.3 p -142.46 156.02 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.432 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.05 -63.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.233 -172.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.7 165.37 17.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.82 -22.23 64.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.203 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.38 -27.96 68.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.53 83.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 53.2 m -88.13 -3.85 58.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 152.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -140.44 -178.16 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.99 136.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 154.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 71.6 p -133.67 78.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.358 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.92 114.74 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -99.98 108.11 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 169.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 399' ' ' LEU . 52.7 t -71.74 122.95 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 159.74 42.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -132.65 149.38 52.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.87 -163.38 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -160.09 82.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.294 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 447' ' ' ARG . 0.8 OUTLIER -156.74 40.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 68.75 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 167.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 445' ' ' ARG . 1.8 mtt85 -73.9 150.91 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.319 -171.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.55 -25.16 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.3 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.83 26.84 9.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.8 150.33 44.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.344 -175.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -81.75 118.29 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -159.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 17.4 p -67.4 148.03 52.12 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.442 ' HG ' HG12 ' A' ' 440' ' ' VAL . 0.7 OUTLIER -148.87 46.11 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 109.361 164.043 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 104.67 -179.95 24.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -156.43 169.49 24.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.288 -173.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 155.24 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 166.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -137.27 154.42 50.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 4.3 tt -154.62 127.11 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 109.335 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -114.78 158.78 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -154.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.0 41.29 4.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.4 tt -101.85 158.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.9 129.7 3.68 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 173.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.27 31.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 168.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -163.69 150.04 9.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 157.97 42.38 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -150.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 75.77 -62.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 170.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 164.22 44.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 0.0 111.061 170.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.513 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 10.2 ttt -59.93 -57.45 26.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.727 . . . . 0.0 110.963 -175.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 0.0 110.964 -154.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -128.33 124.11 35.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 168.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.2 tp -149.75 120.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.45 92.42 4.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -172.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 19.8 t -91.99 147.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 164.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 23.3 m -128.13 143.59 51.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' A' ' 486' ' ' VAL . 94.3 m-85 -137.97 89.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.951 161.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -122.97 123.62 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.508 HG12 HD22 ' A' ' 484' ' ' LEU . 0.3 OUTLIER -98.4 126.76 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -171.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -81.02 166.72 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.5 70.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.32 -17.71 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.13 22.64 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -95.86 136.43 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.303 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.585 HD12 HG23 ' A' ' 486' ' ' VAL . 0.0 OUTLIER -82.98 110.25 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 161.576 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.32 115.51 22.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.588 164.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.585 HG23 HD12 ' A' ' 484' ' ' LEU . 71.3 t -114.3 143.56 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 171.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.1 p -158.62 157.78 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.025 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.55 149.61 49.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -154.16 127.65 8.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.13 124.65 34.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -65.64 -32.39 73.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.24 -54.05 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 12.1 t -83.04 -18.66 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.028 -167.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 83.68 11.01 80.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 171.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.52 154.09 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.19 129.76 12.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 167.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -146.93 139.45 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -142.02 149.25 39.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -162.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.568 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.26 119.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -169.003 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.568 ' N ' HD13 ' A' ' 499' ' ' ILE . 9.3 p -101.9 129.75 48.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -131.3 114.79 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 178.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -64.07 156.17 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -53.0 128.97 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 163.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 46.9 t -139.6 163.66 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 -159.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 89.6 p -119.25 17.05 13.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 100.51 29.32 6.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -168.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.207 -1.132 0 O-C-N 124.566 0.803 . . . . 0.0 109.318 173.251 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 5.9 t 62.38 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.9 82.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 162.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -91.72 179.59 41.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.663 HD13 ' CZ ' ' A' ' 476' ' ' PHE . 1.5 pt -115.67 144.37 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -177.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -78.84 78.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 37.0 p -93.61 174.31 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -50.1 128.87 19.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 111.01 -166.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 115.83 -22.36 11.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -167.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 73.89 43.91 32.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.51 137.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 -169.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.1 73.98 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 83.7 m -60.6 115.25 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.1 m -68.36 89.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 411' ' ' LEU . 1.0 OUTLIER -57.44 -55.13 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 175.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.5 pt -144.36 167.2 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -94.44 167.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 -155.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -67.14 124.4 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 35.0 m120 48.22 61.68 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -165.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 5.9 m -39.7 -60.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 110.364 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.482 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 170.23 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.422 -171.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 417' ' ' THR . 0.8 OUTLIER 60.74 165.97 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.04 122.41 7.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 120.932 -2.528 . . . . 0.0 110.958 -50.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 6.8 t -148.78 143.55 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -156.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -110.65 129.07 55.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.41 159.33 27.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 160.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 15.6 m -161.04 -63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -78.28 85.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -169.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.67 -59.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 401' ' ' ILE . 32.4 p90 -127.37 168.18 15.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 36.0 t -149.41 -167.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 68.4 p -90.93 167.61 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.47 -59.11 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -172.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -88.99 103.74 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -71.79 -29.79 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -169.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.9 -42.76 90.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -166.97 117.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 p -153.0 176.48 11.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -176.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -136.07 137.64 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 436' ' ' VAL . 34.2 m -83.54 81.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.5 p -78.61 81.72 4.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.414 HG21 HG11 ' A' ' 486' ' ' VAL . 1.1 mp -79.56 131.1 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.93 151.64 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.567 135.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.77 126.98 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 166.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.25 139.87 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -166.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.78 155.82 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 177.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 148.38 -152.04 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -142.57 39.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 110.343 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -127.69 158.99 36.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.26 -54.53 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.379 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -87.38 151.37 23.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.25 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.99 -24.81 55.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -165.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.45 -8.47 57.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -170.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -104.49 4.79 33.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.61 152.63 35.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -162.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -88.15 103.83 16.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -165.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 33.6 p -68.21 148.39 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.49 32.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 171.78 95.8 0.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.0 137.93 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 110.292 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.91 122.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.7 159.01 21.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.55 118.78 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -97.75 156.45 16.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 95.12 41.8 3.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.08 136.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.575 0.809 . . . . 0.0 109.288 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -148.09 89.74 5.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.44 38.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.98 21.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -174.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 163.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -67.22 106.88 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 87.34 37.84 8.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.444 ' N ' ' HD2' ' A' ' 470' ' ' PRO . 2.7 mtt -53.73 -48.09 94.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 169.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 469' ' ' MET . 18.2 Cg_endo -75.08 63.06 6.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 168.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 178.17 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.62 1.2 . . . . 0.0 110.29 -173.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 472' ' ' ILE . 0.1 OUTLIER -122.57 107.49 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 167.19 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.465 ' N ' HD13 ' A' ' 472' ' ' ILE . 0.0 OUTLIER -165.45 159.99 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -177.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 22.2 t -105.73 125.75 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 167.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.16 141.78 34.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 401' ' ' ILE . 57.5 m-85 -133.43 93.37 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.41 121.32 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -163.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.2 mm -87.24 118.85 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -79.35 166.61 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.17 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.17 -0.01 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.06 22.29 23.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 166.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 6.2 mt -89.47 122.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.29 99.36 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -85.15 103.59 14.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 109.632 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 476' ' ' PHE . 93.9 t -102.66 125.25 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 78.9 p -151.83 158.79 43.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -136.42 129.72 31.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -118.3 108.85 15.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -96.43 125.98 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -77.1 -16.84 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 167.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.26 -57.46 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -172.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.1 t -104.78 -3.71 23.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.52 -5.3 84.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 170.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -74.72 160.46 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.294 -167.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.68 110.93 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -138.54 155.86 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.11 162.4 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -162.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.34 133.94 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 174.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.3 p -121.01 122.74 40.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 110.388 -173.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 501' ' ' ILE . 0.0 OUTLIER -134.22 127.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -177.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -56.74 130.24 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -135.36 28.37 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 29.3 t -64.89 -52.23 57.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.948 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 28.0 t 63.52 92.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 152.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -51.91 -74.85 0.25 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.412 1.07 . . . . 0.0 110.955 165.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 C--O 1.208 -1.1 0 O-C-N 124.526 0.78 . . . . 0.0 109.267 167.346 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 66.5 m -73.65 109.56 7.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.512 HD13 ' C ' ' A' ' 399' ' ' LEU . 3.3 tm? -78.76 108.41 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 167.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -120.18 169.47 13.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.654 HD11 ' CE1' ' A' ' 426' ' ' PHE . 29.6 pt -130.59 147.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 0.0 109.288 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.79 112.28 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.45 168.71 13.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 32.3 ttm -47.71 130.81 14.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -166.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 110.45 -20.68 25.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.047 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 77.29 50.64 6.58 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.12 138.88 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 409' ' ' THR . 0.0 OUTLIER -80.99 64.36 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -173.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 408' ' ' MET . 2.3 m -40.34 132.05 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -169.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 50.0 m -65.96 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 411' ' ' LEU . 4.2 tt -58.5 -62.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.0 142.73 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 416' ' ' THR . . . -95.68 162.49 13.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -61.13 112.52 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 20.3 m120 58.0 60.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -173.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 413' ' ' ALA . 42.4 m -53.51 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.38 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.3 t -166.2 -45.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.42 143.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.459 HG23 ' HA ' ' A' ' 419' ' ' PRO . 2.9 mt 69.64 134.28 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 169.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.459 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.3 Cg_endo -74.99 153.88 99.4 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.957 -2.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -166.4 170.38 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -142.6 139.81 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -118.28 164.56 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.556 159.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.9 p -173.95 -51.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -169.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -36.83 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 -174.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 17.1 t -84.6 59.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.654 ' CE1' HD11 ' A' ' 401' ' ' ILE . 10.5 m-85 -168.87 166.34 11.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 81.2 p -158.77 144.47 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.963 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.663 HG22 HG21 ' A' ' 436' ' ' VAL . 41.9 p -85.36 70.88 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 175.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -105.52 118.28 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -152.93 112.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.357 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.09 -17.99 60.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -54.7 -50.49 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -178.33 167.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -170.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.0 m -78.04 61.51 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.63 3.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.663 HG21 HG22 ' A' ' 428' ' ' THR . 7.8 p -78.23 112.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -168.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 30.9 m -117.31 99.83 7.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.89 117.24 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.18 114.63 26.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.587 160.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.87 128.73 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.239 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.67 149.69 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.79 140.28 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 173.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 163.2 -150.89 20.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.96 38.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.249 151.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -97.59 128.29 44.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -41.07 55.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -154.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.96 136.57 40.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.3 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.04 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -75.07 -11.33 60.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -105.98 -1.17 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -111.45 146.53 37.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -80.46 100.61 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 -162.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 35.5 p -68.52 154.62 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 170.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 454' ' ' LEU . 0.0 OUTLIER -149.6 30.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 140.51 177.07 15.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.02 171.08 19.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.252 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.76 159.83 40.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 167.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -132.37 153.57 50.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 -173.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -138.55 111.02 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 163.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -84.64 149.27 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.07 1.05 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 9.4 mm -89.84 154.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -124.06 87.29 53.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.11 4.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.54 1.811 . . . . 0.0 110.958 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -153.68 157.28 32.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.04 2.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.532 1.806 . . . . 0.0 110.972 165.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.02 96.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.235 168.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 85.12 38.85 8.85 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.557 1.161 . . . . 0.0 111.032 -175.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.551 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 2.6 ttt -58.28 -52.69 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.955 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.0 Cg_endo -75.12 74.71 3.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 110.943 -167.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -143.87 -56.46 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 6.8 mm -96.48 141.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -130.15 167.98 17.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.25 149.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 8.8 t -127.72 113.19 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 164.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.97 141.62 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.44 ' CE2' ' CD2' ' A' ' 426' ' ' PHE . 64.8 m-85 -131.16 88.6 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 111.029 171.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -118.07 125.06 49.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -166.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.9 tt -106.07 133.0 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -99.54 -179.09 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.18 71.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -172.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.12 -16.47 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 87.73 22.26 43.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.35 127.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 484' ' ' LEU . 0.0 OUTLIER -76.51 107.69 8.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 167.207 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -87.57 91.29 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.61 168.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 71.8 t -101.25 123.51 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 93.9 p -151.65 136.21 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 -165.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -108.89 124.99 51.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -114.76 129.76 56.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -162.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.96 103.67 7.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 159.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.11 -26.56 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -160.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -82.64 -41.38 19.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 47.8 t -87.79 -30.52 20.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -169.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.19 74.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.72 160.02 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.261 171.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -164.5 166.41 20.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -130.7 154.1 48.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 152.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.62 146.56 36.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -162.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.631 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -142.78 122.94 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 178.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.631 ' N ' HD13 ' A' ' 499' ' ' ILE . 42.8 p -102.3 129.59 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -134.74 120.63 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 178.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -70.16 110.29 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.332 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -109.26 27.67 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.235 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 21.7 m -65.6 -48.29 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 p -167.43 156.08 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 174.51 173.83 40.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--O 1.208 -1.105 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 176.807 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 29.3 m -65.83 167.96 8.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 400' ' ' GLY . 1.2 tm? -133.3 116.44 16.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 399' ' ' LEU . . . -128.25 168.73 20.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 176.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 1.5 pt -116.36 161.72 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -79.18 125.25 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 19.4 p -129.74 176.82 7.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.458 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 8.5 mtt -41.76 134.18 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 102.78 -4.91 50.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.423 1.077 . . . . 0.0 110.961 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 62.09 44.93 97.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.4 p -127.36 139.92 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -165.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.93 125.04 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 177.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 95.1 m -110.36 103.95 12.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.387 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 46.5 m -64.06 87.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 1.8 pp -85.72 -32.26 21.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.68 139.96 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -111.63 167.06 10.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 178.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.57 99.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 45.3 t30 59.77 61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 1.9 m -30.95 -61.28 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 156.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.458 ' O ' ' CG1' ' A' ' 418' ' ' ILE . 0.8 OUTLIER 173.87 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 179.443 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 417' ' ' THR . 1.2 pt 57.4 168.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.47 3.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.007 -34.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.9 t -132.85 142.34 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -147.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -143.1 122.49 13.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -162.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -168.06 161.37 12.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.0 p -78.94 -48.51 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 61.49 28.53 17.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -165.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 23.5 t 58.83 77.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.404 ' CD2' ' CE2' ' A' ' 476' ' ' PHE . 60.2 m-85 -134.81 43.46 2.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 161.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 31.8 t -56.11 -64.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.8 p -140.99 127.0 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 159.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -159.92 46.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -129.58 102.71 6.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 110.288 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -74.07 -5.74 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.47 -47.94 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -173.74 179.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -173.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 26.0 p -68.7 67.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 166.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -160.96 178.87 8.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.371 -167.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.8 p -132.69 90.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 165.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 64.4 p -101.92 102.01 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 438' ' ' ILE . 2.4 mp -79.72 103.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -78.91 119.27 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 150.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.434 HG13 HD21 ' A' ' 399' ' ' LEU . 1.2 t -86.51 124.93 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.71 146.02 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -165.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.41 144.3 46.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 170.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -126.1 2.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -173.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -152.1 64.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 -168.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 71.01 -175.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 159.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 72.2 -172.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.368 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -49.28 132.82 19.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.84 80.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -161.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -77.46 -7.59 56.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -169.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.12 -1.92 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.13 159.87 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.55 160.0 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 109.294 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 78.4 p -136.47 160.73 37.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.04 36.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.82 178.48 15.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -158.81 162.91 37.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.353 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.54 145.28 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.061 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -135.62 143.77 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 66.3 tp -116.08 92.99 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 155.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -95.55 160.97 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -168.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 84.82 42.23 7.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 3.4 tt -97.17 158.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.271 -172.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.85 116.23 14.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 169.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 79.64 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.558 1.82 . . . . 0.0 110.962 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -146.73 151.56 42.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.67 32.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -162.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.74 113.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 127.21 -41.63 1.58 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -64.21 -57.59 17.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.766 . . . . 0.0 110.957 -168.474 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.4 Cg_endo -74.98 161.43 38.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -164.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -84.37 62.54 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 2.1 mm -124.55 134.91 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.246 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -108.82 126.63 53.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 166.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 66.5 t -121.5 120.57 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 164.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 35.7 m -116.12 128.65 55.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 486' ' ' VAL . 20.1 m-30 -111.77 89.16 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 173.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.6 123.37 44.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -155.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.94 116.31 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -81.85 178.28 8.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.92 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.09 -17.46 62.58 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.71 2.78 61.24 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.07 139.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.421 HD13 HD12 ' A' ' 399' ' ' LEU . 0.5 OUTLIER -79.48 96.6 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 169.086 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -84.17 90.03 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.456 HG13 ' CE1' ' A' ' 476' ' ' PHE . 6.2 t -88.78 122.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -174.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 55.1 p -136.99 139.57 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -171.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.76 136.62 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -142.57 131.35 22.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -155.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.28 126.1 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 170.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -70.21 -32.42 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -161.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -85.18 -57.69 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -163.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 7.8 t -87.52 -18.2 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -173.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.83 64.61 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 164.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -81.12 150.59 28.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 0.82 . . . . 0.0 109.283 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.95 166.97 31.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -169.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -145.62 140.91 27.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 156.11 30.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -155.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.621 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -143.56 121.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 168.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.621 ' N ' HD13 ' A' ' 499' ' ' ILE . 5.2 p -99.59 127.56 45.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -135.19 124.17 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 177.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -76.62 -26.39 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 56.04 61.47 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 64.6 m -83.77 157.35 22.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 99.1 p -81.4 170.82 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 88.76 54.12 2.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.591 1.182 . . . . 0.0 111.038 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.207 -1.157 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 178.73 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 54.9 m -52.96 142.25 20.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -167.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 440' ' ' VAL . 10.2 mt -93.04 126.07 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 158.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -114.96 -179.85 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 157.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.403 HG22 ' CG1' ' A' ' 440' ' ' VAL . 0.4 OUTLIER -124.93 156.97 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.24 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -84.49 93.84 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 3.8 p -78.65 142.53 37.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.22 134.4 55.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -161.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 124.93 -17.87 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -162.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 81.06 27.03 51.3 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.9 138.26 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.96 130.9 35.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 60.5 m -113.98 107.09 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 166.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 17.7 m -65.56 76.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.382 162.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -41.81 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.34 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -103.01 163.81 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.74 -21.96 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -97.85 60.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.657 HG21 HG21 ' A' ' 420' ' ' THR . 0.2 OUTLIER -80.18 -91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 159.404 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 t -174.13 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.438 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.475 ' HA ' ' C ' ' A' ' 419' ' ' PRO . 7.7 mt 67.82 95.82 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 158.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 418' ' ' ILE . 18.2 Cg_endo -75.06 172.99 60.24 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.919 18.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.657 HG21 HG21 ' A' ' 416' ' ' THR . 3.4 t -160.15 172.51 17.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 162.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -145.81 143.87 29.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 168.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -133.19 169.79 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 155.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 18.2 p -156.69 138.56 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.941 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -166.57 133.92 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 42.6 t -88.66 119.49 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 171.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -116.7 38.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 178.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -161.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 15.1 p -122.06 114.93 21.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -69.65 87.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -157.69 113.33 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.41 -26.41 64.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -71.48 -17.13 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 53.5 65.69 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -170.64 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.91 2.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 174.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.6 p -131.04 123.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.207 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 99.6 m -110.48 106.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 175.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.459 HG21 HG11 ' A' ' 486' ' ' VAL . 1.0 OUTLIER -80.79 153.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -150.95 122.67 8.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.794 ' HB ' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -108.64 139.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -178.204 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.27 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -173.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -78.52 105.83 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 167.21 -173.45 42.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.027 -164.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -148.52 93.23 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 75.84 -175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 161.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.5 tttt 74.2 -158.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -170.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -74.74 142.12 44.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.53 80.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -76.03 -9.62 58.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.375 1.047 . . . . 0.0 109.312 -169.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.95 -4.87 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -118.06 153.1 34.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -83.83 119.63 25.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -156.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 34.4 p -61.01 148.53 39.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -174.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.519 ' O ' HD13 ' A' ' 454' ' ' LEU . 2.4 tm? -163.44 66.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -174.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 96.33 144.53 17.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 153.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.04 156.37 42.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 0.807 . . . . 0.0 110.286 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.58 147.74 15.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.12 149.01 44.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.57 139.13 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 166.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.78 124.38 40.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 158.9 49.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 167.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 31.4 mm -102.64 153.73 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.18 91.37 39.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 171.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 94.88 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.594 1.839 . . . . 0.0 110.965 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -157.43 167.32 14.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 468' ' ' GLY . 18.2 Cg_endo -74.97 -172.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.05 153.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 63.4 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 165.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 466' ' ' PRO . . . -99.59 22.17 41.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -172.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 470' ' ' PRO . 0.0 OUTLIER -49.56 -59.06 7.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.97 171.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 469' ' ' MET . 18.0 Cg_endo -75.1 72.52 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.955 -152.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -136.38 31.26 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 21.1 mm -125.68 153.1 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -135.02 137.61 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 153.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.48 122.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 166.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.44 142.3 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -167.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.32 93.2 3.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 110.957 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -123.57 121.25 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.235 -165.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.623 HG22 HG22 ' A' ' 420' ' ' THR . 0.2 OUTLIER -97.26 126.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -172.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.58 175.26 10.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.02 79.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.3 -20.79 60.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.48 24.06 17.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.1 139.61 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 157.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.07 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 167.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -73.99 110.45 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.597 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 438' ' ' ILE . 63.9 t -104.6 132.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 172.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 87.8 p -147.42 150.27 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.18 54.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 170.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -133.23 117.79 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -95.45 118.8 32.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -170.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -74.45 -24.7 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -76.77 -53.95 7.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 10.2 t -88.06 -24.86 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -168.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 85.3 8.29 81.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.42 157.67 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 498' ' ' LYS . 4.5 pt-20 -148.28 151.71 35.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 161.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -166.3 142.9 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 496' ' ' GLU . 0.0 OUTLIER -135.82 156.99 47.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -158.614 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.618 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -147.1 123.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -174.463 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.618 ' N ' HD13 ' A' ' 499' ' ' ILE . 13.4 p -102.2 127.26 49.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.438 HG23 HD12 ' A' ' 499' ' ' ILE . 0.0 OUTLIER -136.56 139.14 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 176.148 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -68.86 140.53 55.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -122.74 18.19 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 161.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 65.0 p -99.63 -72.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 151.01 39.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -82.33 164.76 44.12 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -170.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 507' ' ' LEU . 2.5 tm? . . . . . 0 C--O 1.209 -1.068 0 O-C-N 124.429 0.723 . . . . 0.0 109.29 174.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 2.5 m 62.73 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.95 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 442' ' ' GLN . 0.6 OUTLIER -154.73 101.15 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 165.013 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -110.76 -177.21 20.64 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.406 HD11 ' CZ ' ' A' ' 426' ' ' PHE . 13.6 pt -130.94 165.31 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 166.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -78.74 90.92 4.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 110.299 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 32.7 p -82.66 168.67 17.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 42.8 ttm -48.62 126.23 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.445 1.091 . . . . 0.0 110.958 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 121.31 -27.23 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -170.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 89.41 32.38 10.47 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.58 134.17 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.331 -163.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 39.3 ttp -74.12 92.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.059 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 49.4 m -83.31 106.59 15.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 25.1 m -74.55 96.36 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 167.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.26 -43.51 94.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 173.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.8 pt -143.93 134.19 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -89.25 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.82 149.21 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 54.7 t30 56.14 44.31 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 -161.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 20.6 m -39.77 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 162.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 8.1 t -175.54 43.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.061 . . . . 0.0 110.385 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 162.17 39.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 -140.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.968 -20.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.4 t -156.12 172.5 18.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -149.12 91.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -160.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -89.22 84.06 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.554 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 95.3 p -88.0 149.63 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 0.0 110.063 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 56.5 51.26 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.296 172.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.13 -55.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' A' ' 401' ' ' ILE . 59.7 t80 -89.58 151.33 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 428' ' ' THR . 37.9 t -142.74 -162.86 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.407 ' N ' ' OG ' ' A' ' 427' ' ' SER . 0.7 OUTLIER -78.12 74.65 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.366 -178.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.9 70.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.16 133.83 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -26.09 63.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -156.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.14 -32.57 74.09 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 48.67 41.49 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 72.2 m -125.12 -56.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -125.85 131.72 52.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.53 134.86 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.07 99.04 4.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 110.401 -169.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.449 HG21 HG11 ' A' ' 486' ' ' VAL . 2.5 mp -92.22 94.34 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -70.75 105.26 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 162.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.77 123.5 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -166.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 453' ' ' SER . 0.0 OUTLIER -167.83 173.28 8.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -175.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.472 ' HB3' HD22 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -150.97 160.09 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 110.332 -154.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 146.59 -145.36 14.16 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -152.11 43.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 110.29 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -137.25 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 170.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.48 -53.25 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -166.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -87.18 136.6 32.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -162.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.09 81.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.27 9.78 24.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.87 45.84 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 167.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.83 167.69 24.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 162.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 99.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 -167.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 441' ' ' LEU . 74.5 p -52.95 146.82 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.951 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.51 32.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -171.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 85.84 -156.31 29.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -173.95 142.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -170.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.67 142.85 33.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -136.94 162.61 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 38.2 tp -151.63 139.39 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.12 104.45 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 175.38 52.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 2.8 mp -122.46 137.98 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 0.803 . . . . 0.0 109.249 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -87.79 134.57 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.366 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -42.0 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -79.6 157.65 74.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.23 10.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 167.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.78 99.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 167.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 142.45 -23.87 2.35 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.571 1.169 . . . . 0.0 111.033 -168.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 63.8 mtt 53.9 62.79 8.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.974 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.89 42.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.584 1.834 . . . . 0.0 110.987 -165.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -157.69 133.29 9.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.618 1.199 . . . . 0.0 110.21 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.5 tp -143.7 121.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 -165.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -118.02 100.03 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.67 100.21 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.27 137.39 50.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.93 89.84 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 155.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.77 117.87 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -156.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.4 tt -111.65 128.68 68.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -167.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -94.6 167.32 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.62 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.61 -18.2 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 93.79 22.42 25.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.62 139.98 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 tp -89.74 117.07 28.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 166.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -80.11 121.9 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.583 160.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.449 HG11 HG21 ' A' ' 438' ' ' ILE . 59.1 t -115.08 114.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 72.6 p -140.87 113.27 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 -159.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -91.67 103.94 16.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -92.46 100.81 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -74.81 104.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -168.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.18 -44.15 16.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.246 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 24.3 t -80.34 -26.01 38.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.23 70.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.02 155.99 27.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 0.0 109.257 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.16 126.58 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 158.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -134.37 150.46 50.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.23 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.9 111.55 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -160.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.638 HD13 ' N ' ' A' ' 500' ' ' THR . 0.3 OUTLIER -100.6 123.26 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 177.528 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.638 ' N ' HD13 ' A' ' 499' ' ' ILE . 25.6 p -101.66 127.74 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 501' ' ' ILE . 0.0 OUTLIER -133.69 118.84 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 178.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -52.48 147.39 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.72 95.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.98 -173.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 168.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 74.1 m -121.12 -58.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 59.71 -135.71 50.75 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.208 -1.119 0 O-C-N 124.535 0.786 . . . . 0.0 109.304 -165.694 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 17.9 m -52.76 102.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' A' ' 440' ' ' VAL . 26.1 tp -96.28 115.97 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -116.25 176.33 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.634 HG21 ' CE1' ' A' ' 476' ' ' PHE . 22.2 pt -118.8 144.13 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.263 -176.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.84 112.56 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 404' ' ' MET . 0.8 OUTLIER -133.99 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.378 -167.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . 0.523 ' C ' ' O ' ' A' ' 403' ' ' THR . 7.8 tpt 1.1 90.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -150.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 99.89 -63.86 0.65 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 168.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 166.09 58.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.71 136.52 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 166.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 11.9 ttt -75.45 89.65 2.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.045 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -73.4 87.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 110.369 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 61.6 m -61.57 87.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 156.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 411' ' ' LEU . 9.6 tt -110.62 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 170.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 412' ' ' ILE . 0.1 OUTLIER -79.86 65.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 177.186 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.9 169.94 10.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -69.33 -23.75 63.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -103.09 29.6 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -173.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.466 HG22 HG21 ' A' ' 420' ' ' THR . 60.4 m -79.53 60.31 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 175.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 9.4 m 45.29 42.39 7.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.172 . . . . 0.0 110.408 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 419' ' ' PRO . 0.0 OUTLIER -42.74 142.38 1.39 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 174.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 418' ' ' ILE . 18.1 Cg_endo -75.05 157.84 99.32 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.941 -13.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.466 HG21 HG22 ' A' ' 416' ' ' THR . 10.2 t -158.31 160.49 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 167.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.87 87.29 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -161.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.57 161.77 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -167.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.4 m -130.2 -67.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 161.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 43.74 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 10.9 p -46.45 125.56 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -166.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' A' ' 401' ' ' ILE . 17.9 m-85 -87.67 157.52 19.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 68.5 m -66.83 116.18 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.939 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 1.6 p -78.84 88.28 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.07 78.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -138.32 114.03 9.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.28 -26.29 62.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -165.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -69.44 -18.9 63.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 52.44 67.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 29.5 t -159.5 -52.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 -162.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -129.95 176.97 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.29 136.48 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 70.9 p -125.11 120.68 32.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.408 1.067 . . . . 0.0 110.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.57 HG21 HG11 ' A' ' 486' ' ' VAL . 1.2 mp -113.33 125.54 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 174.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 149.25 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 140.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.604 ' CG1' HG22 ' A' ' 401' ' ' ILE . 0.0 OUTLIER -115.07 135.61 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 162.002 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 146.81 48.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -165.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -128.71 155.17 45.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 155.29 -95.94 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 111.08 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -159.13 44.67 0.26 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 110.34 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 446' ' ' LYS . 6.1 ttt180 63.11 -165.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 172.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 445' ' ' ARG . 3.2 ttpt 82.3 -161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -59.77 139.01 57.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.08 75.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -167.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.13 -6.3 58.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.03 164.3 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -173.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -69.54 121.02 16.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 5.0 p -94.03 141.47 28.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.022 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.67 56.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -168.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.17 113.26 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -109.24 142.05 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.47 162.74 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -147.73 164.97 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 48.5 tp -148.42 136.65 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 167.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -96.8 151.17 19.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 109.37 44.53 1.07 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.069 174.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -78.24 168.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 0.725 . . . . 0.0 109.254 172.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -126.31 84.41 62.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -169.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 75.73 3.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 466' ' ' PRO . . . -162.83 164.02 16.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 465' ' ' ALA . 18.5 Cg_endo -74.97 -41.69 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 173.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 85.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 160.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 100.99 36.58 3.89 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . 0.413 ' N ' ' HD2' ' A' ' 470' ' ' PRO . 8.5 mtt -59.83 -43.49 95.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 110.997 152.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 469' ' ' MET . 18.3 Cg_endo -75.0 -166.43 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 155.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 68.81 27.03 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 5.6 tp -158.03 135.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -137.28 146.35 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.24 108.72 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 159.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 137.85 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . 0.634 ' CE1' HG21 ' A' ' 401' ' ' ILE . 61.0 m-85 -140.45 98.46 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.985 168.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.97 122.97 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -148.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 484' ' ' LEU . 1.1 tp -115.7 119.01 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -177.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -94.71 174.58 7.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.64 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.52 -18.07 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -175.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 92.29 12.61 58.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 172.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.58 139.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.556 0.797 . . . . 0.0 109.32 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -81.09 108.76 15.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 168.232 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -82.96 109.84 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.556 161.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.57 HG11 HG21 ' A' ' 438' ' ' ILE . 92.3 t -111.99 141.65 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.262 170.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 82.6 p -162.34 167.75 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.431 1.082 . . . . 0.0 109.905 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.24 142.69 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 168.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.64 116.09 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -86.33 114.09 22.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -77.98 -27.75 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 -171.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -70.6 -46.35 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 22.3 t -88.95 -23.39 22.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.19 10.66 70.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -80.57 158.53 25.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.09 153.99 33.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 164.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -159.26 141.39 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -157.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . 0.527 HD13 ' N ' ' A' ' 500' ' ' THR . 0.2 OUTLIER -150.54 118.28 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -172.572 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.527 ' N ' HD13 ' A' ' 499' ' ' ILE . 16.8 p -111.24 126.94 55.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.467 -175.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.95 128.93 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -62.67 -44.41 96.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 42.56 79.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -169.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 97.5 p -152.06 142.77 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 18.2 t 60.06 -170.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . -79.15 -33.98 34.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 66.6 tp . . . . . 0 C--O 1.208 -1.095 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 -177.613 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 73.8 m -49.89 151.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 158.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . 0.582 HD21 HG13 ' A' ' 501' ' ' ILE . 46.5 tp -144.81 76.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -176.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -80.49 -173.52 46.68 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . 0.448 HG22 ' CG1' ' A' ' 440' ' ' VAL . 0.9 OUTLIER -130.55 160.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.239 -173.644 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.61 88.19 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.251 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 404' ' ' MET . 2.5 p -79.98 160.34 25.95 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 174.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 403' ' ' THR . 11.0 mmt 2.4 95.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -144.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . -42.4 110.51 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -148.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 161.19 -43.06 0.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.24 144.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 19.9 ttt -92.31 151.45 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.942 -168.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 63.5 m -134.04 108.93 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.398 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 73.3 m -71.54 79.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.431 165.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.465 HD22 ' CZ ' ' A' ' 426' ' ' PHE . 2.6 pp -70.17 -31.29 68.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 170.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -112.5 137.94 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -175.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -119.32 171.58 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 170.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -78.61 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.6 23.09 13.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.357 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . 0.504 HG22 HG21 ' A' ' 420' ' ' THR . 2.6 m -78.13 11.78 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.421 171.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 54.9 m 83.29 -53.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 148.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 419' ' ' PRO . 47.9 mt 76.32 145.13 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 159.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . 0.541 ' HA ' HG23 ' A' ' 418' ' ' ILE . 18.2 Cg_endo -74.98 167.04 81.64 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.075 -2.469 . . . . 0.0 111.008 -13.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.504 HG21 HG22 ' A' ' 416' ' ' THR . 5.2 t -167.16 165.82 15.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.449 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -128.61 119.49 24.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.364 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -114.54 75.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 46.8 t -77.03 -54.09 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -170.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 57.3 -167.7 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.3 86.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.465 ' CZ ' HD22 ' A' ' 411' ' ' LEU . 87.7 m-85 -85.05 121.54 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.969 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 44.8 m -60.22 134.25 56.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.0 m -79.01 93.41 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.385 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.95 77.41 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -145.02 115.33 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -157.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.13 -3.96 58.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 52.66 38.56 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.2 m -116.49 -48.1 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -173.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -128.89 -178.58 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 3.5 p -135.72 144.61 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 167.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -123.96 126.42 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.36 169.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 137.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 172.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.05 139.35 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 153.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . 0.507 ' HB ' HD11 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -112.27 129.84 67.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 169.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 150.68 44.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -167.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.84 146.64 41.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -172.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 128.41 -98.76 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -171.89 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 110.31 163.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -165.2 35.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 -160.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -132.53 -56.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.248 175.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 128.04 56.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -175.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.23 92.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -174.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -78.91 -11.06 59.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -164.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.14 27.24 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -137.25 157.63 46.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -76.57 119.48 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -168.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 88.1 p -75.7 157.69 33.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -172.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.539 ' O ' HD13 ' A' ' 454' ' ' LEU . 0.9 OUTLIER -163.0 66.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 113.8 113.56 3.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 151.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -102.33 146.19 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 110.363 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.23 146.83 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.923 167.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -145.08 153.45 41.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.24 136.86 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 170.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -83.97 144.2 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 174.69 -42.7 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -163.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.41 141.68 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -176.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -107.21 123.85 37.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -163.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 168.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . 178.98 158.95 0.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -171.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 44.84 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 167.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -82.68 105.14 13.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -167.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.27 32.03 68.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 49.41 61.99 12.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 111.007 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.67 32.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 -161.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -163.44 136.42 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.65 106.01 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -169.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -101.71 107.51 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.49 98.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.9 m -78.74 143.6 36.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.63 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 168.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -120.64 123.38 42.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -162.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.5 tt -80.78 127.3 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.06 170.28 16.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.43 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.88 -16.77 61.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 95.56 8.09 58.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 18.5 mt -74.94 141.16 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.246 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.524 ' HG ' HD23 ' A' ' 399' ' ' LEU . 3.8 mm? -81.65 98.66 8.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 166.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 118.43 12.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.617 155.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 88.2 t -121.72 134.37 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 166.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 80.7 p -150.08 151.2 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 -170.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -119.48 121.53 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.226 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -112.09 117.69 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 -170.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.8 120.42 31.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -15.72 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 173.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.75 -57.7 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 40.5 t -97.17 -27.24 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.977 -168.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 87.39 10.4 70.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -80.29 145.73 31.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.297 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -138.44 93.38 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -84.43 137.02 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 152.06 51.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -161.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.3 136.74 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 175.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 3.0 p -122.81 114.65 20.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.404 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . 0.582 HG13 HD21 ' A' ' 399' ' ' LEU . 0.0 OUTLIER -126.0 141.97 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 -172.236 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -92.09 -57.91 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -157.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . 58.92 50.77 8.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 167.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 17.9 t -110.36 48.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 23.2 t 56.47 76.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 171.11 -46.82 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 110.925 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.208 -1.085 0 O-C-N 124.472 0.748 . . . . 0.0 109.354 -172.804 . . . . . . . . 0 0 . 1 stop_ save_