data_1ywx_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 1ywx _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.18 146.83 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.73 127.59 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mm -80.58 132.0 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.0 mm -95.13 -58.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -140.83 162.83 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 146.34 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -120.39 125.97 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.2 m-80 -116.59 91.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.13 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.45 -63.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 2.1 mt -92.21 25.32 2.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.37 38.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 22.0 mtm-85 -114.2 169.68 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -128.42 124.31 35.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 16.4 mt-10 -106.39 100.33 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.393 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.19 115.1 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 144.16 28.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.564 1.165 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 39' ' ' LEU . 37.1 p90 -160.07 179.97 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.35 150.14 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.413 ' CG1' HD11 ' A' ' 55' ' ' LEU . 7.3 p -134.46 130.01 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -131.53 145.29 51.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 15.8 p90 -154.38 158.5 40.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.05 78.98 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 75.8 -57.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.25 112.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.415 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.89 106.36 55.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.507 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 15.5 m -119.41 -169.09 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -71.73 -57.15 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.44 -41.71 97.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.11 -50.9 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 31' ' ' SER . 72.2 t -63.33 -31.29 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' CD ' ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -61.38 -34.95 76.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -61.8 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.077 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -47.51 73.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 21' ' ' PHE . 19.9 mt -51.51 -35.1 38.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 47' ' ' LYS . 3.4 t -64.9 -42.21 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.33 61.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -77.14 -51.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.74 -36.06 65.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.8 t-20 65.71 61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.06 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.29 -177.39 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -64.59 116.33 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 10.8 ptmt -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.55 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.8 tt -134.31 134.84 42.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -153.32 175.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.2 t -108.8 156.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.34 -56.97 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.16 167.59 12.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -151.62 171.32 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 128.85 10.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.79 147.13 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.9 mm -94.2 140.61 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -88.0 -40.23 14.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.27 2.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.2 ptpt -120.55 -154.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.4 mt -103.47 53.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -119.44 158.48 26.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.225 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.415 ' N ' ' OE2' ' A' ' 63' ' ' GLU . . . -146.58 126.4 13.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.93 141.95 35.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.41 172.62 36.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -125.05 138.21 54.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.46 161.71 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 149.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' ARG . 77.6 mt -144.74 141.99 23.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 16' ' ' ARG . 2.0 t80 -118.19 -175.05 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -105.78 -55.78 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.48 131.63 40.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.15 -19.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -50.3 73.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.82 -52.8 15.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.453 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 4.5 ttp -51.48 -46.06 62.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.85 -28.79 37.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -92.88 -61.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.6 mt -50.45 -79.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 3.1 mp0 -45.8 171.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -118.37 168.28 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.77 -21.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 57.2 t -70.62 -42.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -72.14 -21.1 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.67 -51.6 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.231 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -48.94 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.29 143.72 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.03 126.73 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.47 HD13 ' CG1' ' A' ' 42' ' ' VAL . 16.0 mm -79.43 132.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -91.73 -58.61 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -142.22 163.39 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -134.07 94.93 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 157.41 17.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -130.94 134.61 46.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 9.8 m-80 -122.4 91.41 49.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.16 2.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mp -44.92 -62.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . 11.7 mt -92.41 24.33 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.418 ' HG2' ' ND2' ' A' ' 72' ' ' ASN . 0.7 OUTLIER 38.08 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . 7.3 mtm-85 -109.59 177.54 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 128.68 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.268 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -116.64 103.21 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.75 127.94 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 146.12 30.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.551 ' CE1' HD21 ' A' ' 39' ' ' LEU . 30.0 p90 -160.55 -179.97 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.6 160.84 36.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 64' ' ' ALA . 3.3 p -133.12 129.33 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -110.97 141.42 44.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -177.05 152.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -131.79 93.13 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' ASP . . . 163.04 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -164.12 141.58 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.16 143.56 65.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.0 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 62.6 m -100.7 -174.7 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.09 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -72.13 -56.43 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.92 -43.99 97.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -32.75 69.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 31' ' ' SER . 16.5 t -78.4 -45.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.34 -29.62 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -57.24 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -48.58 24.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 21' ' ' PHE . 19.7 mt -50.99 -33.69 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.5 t -63.05 -44.8 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.21 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 5' ' ' ILE . 91.4 t -72.71 -52.58 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -73.9 -27.49 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 52.65 58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 -172.75 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -66.19 102.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' CB ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.77 -24.62 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.09 -47.58 85.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 19.0 m -110.04 57.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.4 tt -135.89 135.49 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -153.59 172.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t -107.1 151.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -88.7 -57.03 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.51 160.81 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.59 171.41 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.14 131.62 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -76.54 140.36 41.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 17.3 mm -87.42 132.21 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -77.92 -47.0 19.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.71 -51.05 1.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.8 ptpt -139.01 -152.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.6 mt -98.66 40.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -96.19 172.77 7.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.471 ' CB ' HG11 ' A' ' 23' ' ' VAL . . . -158.51 121.22 3.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.8 143.68 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.226 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.19 161.88 31.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.468 ' CD2' ' C ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -116.25 131.9 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -104.13 129.0 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -116.38 142.84 46.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -135.84 135.8 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 4.4 p90 -113.45 166.99 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' ND2' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -73.29 -55.21 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.42 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.61 150.67 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.222 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.5 mt-10 -57.7 -20.7 35.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -60.42 -50.3 74.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.93 -52.91 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 ttp -50.42 -51.32 47.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -47.64 -28.95 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 m -96.7 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 81' ' ' GLU . 13.9 mt -44.15 -73.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 1.5 mp0 -47.31 172.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' VAL . 19.7 p -123.17 163.37 20.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -48.38 -26.74 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -65.14 -38.49 90.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 14.0 t -75.21 -65.6 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.26 -24.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -46.54 80.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.8 ptmt -62.78 -34.72 77.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.433 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 16.4 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 4' ' ' SER . 10.3 mt -120.42 144.56 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -137.96 127.33 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.0 mm -80.18 130.23 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.7 mm -89.74 -58.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -145.44 164.56 31.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.25 99.36 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 154.66 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -132.94 131.97 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ARG . 44.0 m-80 -127.8 91.45 45.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.51 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.16 -14.48 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.5 40.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -129.0 160.72 31.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -130.79 126.52 36.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 15.6 mt-10 -117.45 117.86 30.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.42 123.0 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.66 136.99 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 8.7 p90 -159.69 -179.67 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.71 156.05 46.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG11 ' CD1' ' A' ' 55' ' ' LEU . 1.9 p -138.31 130.53 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.98 156.73 42.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.961 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.56 -172.86 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.12 84.9 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.32 154.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.96 99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -84.5 147.13 48.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 1.5 m -110.34 179.97 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -69.42 -55.67 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -62.17 -30.63 71.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 0.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.1 OUTLIER -77.35 -28.33 52.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 31' ' ' SER . 10.9 t -81.33 -55.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -51.29 -25.34 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -52.05 -49.97 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.7 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -53.8 -34.04 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 2.5 t -55.17 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 -43.11 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.53 -51.33 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -75.18 -31.95 61.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.2 t-20 56.57 50.66 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.71 -170.67 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.86 98.56 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.53 -23.6 58.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.84 -59.73 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.1 m -99.25 53.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 1.8 tt -135.8 135.25 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.4 t -153.48 175.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.8 t -106.36 150.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -55.77 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.86 160.87 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -134.69 170.95 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -161.95 122.07 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.85 145.75 55.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 23.1 mm -93.55 133.15 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' GLY . 56.2 t80 -76.04 -49.31 17.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -37.16 -61.0 1.02 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.2 ptpt -127.8 -153.03 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 0.713 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -99.93 44.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -98.86 172.21 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -155.48 118.07 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.2 tt0 -101.82 143.03 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.58 160.25 32.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -105.25 134.28 48.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.38 128.46 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.185 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -128.19 145.34 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 mt -136.76 143.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -101.27 178.45 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.99 -41.24 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.54 133.91 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.2 mt-10 -53.21 -19.76 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -56.54 -50.63 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -75.91 -53.05 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.48 ' SD ' ' CD2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -50.08 -44.46 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -54.18 -27.77 36.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.8 m -99.96 -65.68 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.2 mt -51.86 -81.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.497 ' OE1' ' CD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -37.75 148.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 p -99.19 162.68 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -53.65 -20.53 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -50.53 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 50.0 t -61.73 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.48 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 23.7 mt -74.41 -31.24 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -49.18 -43.33 42.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.52 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.9 mt -132.29 146.7 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 127.09 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.2 mm -81.89 134.11 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mm -94.05 -61.83 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -135.7 158.53 44.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.27 98.8 4.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 158.76 17.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -130.43 135.52 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ARG . 37.0 m-80 -129.99 91.51 39.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.53 2.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.22 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.92 -9.16 54.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.06 47.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -125.99 169.49 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -123.96 142.43 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.79 91.33 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.3 mt -122.52 117.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.16 137.81 32.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.516 ' CZ ' ' CD1' ' A' ' 39' ' ' LEU . 18.9 p90 -154.16 -179.77 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -138.52 160.02 40.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG11 ' CB ' ' A' ' 64' ' ' ALA . 2.8 p -132.25 131.04 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.76 129.46 56.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -169.71 147.98 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -125.91 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.93 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.75 143.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -73.78 130.22 83.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.0 m -159.46 -178.28 7.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.44 -53.4 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.12 -39.38 89.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -64.8 -34.68 78.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.0 t -79.75 -45.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -52.56 -28.93 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -51.58 -54.47 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -51.07 24.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' CD1' ' CZ ' ' A' ' 21' ' ' PHE . 17.8 mt -51.46 -33.36 30.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.7 t -59.76 -42.92 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.85 64.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.35 -51.01 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.97 -33.11 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.6 t-20 56.31 64.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.69 -170.65 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.07 100.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' CB ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -62.67 -23.94 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.79 -53.73 54.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.4 m -105.65 58.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 2.1 tt -136.31 135.64 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.53 173.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 53' ' ' ASP . 1.6 t -109.44 148.27 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -77.78 -56.93 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.82 161.64 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.5 168.85 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.74 125.91 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.1 145.44 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 27.8 mm -96.35 132.05 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -79.26 -46.55 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.98 -49.18 2.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.4 ptpt -143.66 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.0 mt -98.6 50.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.8 OUTLIER -107.36 168.16 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.453 ' CB ' HG11 ' A' ' 23' ' ' VAL . . . -156.51 119.79 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.91 144.02 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.0 147.02 12.14 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -94.66 140.65 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.606 0.827 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 141.85 36.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -133.17 141.46 48.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' ARG . 36.3 mt -140.14 138.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 16' ' ' ARG . 2.6 t80 -113.73 -175.59 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -106.82 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 124.4 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 37.4 mt-10 -64.45 -19.52 65.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.14 -46.98 84.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -52.97 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -53.09 -45.68 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 111.053 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -50.09 -30.11 10.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.9 m -92.49 -61.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 79' ' ' THR . 6.0 mt -39.35 -67.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 3.1 mm-40 -81.96 -173.39 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 p -129.81 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.31 -21.01 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -55.8 -50.81 69.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -82.84 -46.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.448 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.45 -21.15 35.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -58.55 -52.6 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mppt? -49.02 -57.86 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.441 HG13 ' CG2' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -112.35 148.57 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.405 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -135.8 128.63 31.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 136.69 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.39 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.16 164.57 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -133.92 92.64 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.97 16.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -143.04 119.96 11.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -119.92 91.81 45.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.577 1.83 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.9 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.33 -12.47 42.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 67.34 58.25 0.55 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -179.17 129.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.4 ttt180 -84.88 132.58 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -115.92 114.77 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.412 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 5.6 mt -121.91 144.14 32.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.609 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -108.05 140.74 40.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' A' ' 39' ' ' LEU . 6.5 p90 -156.4 -179.15 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.444 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -143.82 156.81 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.441 ' CG2' HG13 ' A' ' 3' ' ' ILE . 10.5 p -134.35 132.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.08 139.13 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 27' ' ' ALA . 11.8 p90 -177.09 -177.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -104.63 87.82 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.602 ' O ' ' CE1' ' A' ' 25' ' ' PHE . . . 48.28 -102.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . 38.78 74.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 102.81 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.86 162.07 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.46 -55.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -30.36 70.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.32 -33.63 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.208 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 31' ' ' SER . 25.2 t -77.6 -38.89 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -56.53 -29.73 62.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -59.73 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -48.98 56.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 21' ' ' PHE . 20.7 mt -51.53 -33.8 33.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.1 t -61.33 -44.16 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.67 62.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.11 -52.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.8 -27.59 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.2 t-20 50.96 65.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.49 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -66.53 109.39 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' CB ' HG21 ' A' ' 40' ' ' VAL . 9.1 ptmt -68.56 -21.56 64.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.94 -53.03 61.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 33.2 m -109.01 63.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 6.2 tt -136.25 135.33 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.489 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -153.81 173.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 t -108.31 150.66 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -57.26 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.77 157.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -134.3 168.83 18.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -162.06 133.76 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -74.41 138.83 43.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 28.5 mm -85.2 134.11 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -80.85 -36.73 31.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.77 -45.34 24.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -146.4 -150.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mt -98.86 37.77 1.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -95.1 171.86 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -155.29 122.08 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' CD ' ' NZ ' ' A' ' 20' ' ' LYS . 4.3 tt0 -101.73 143.49 31.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.28 167.01 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -120.38 138.19 53.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.26 131.25 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 144.76 49.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' ARG . 32.4 mt -137.4 134.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CE2' ' HB ' ' A' ' 49' ' ' VAL . 3.1 p90 -114.19 148.11 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -81.92 -42.26 19.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' CB ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -134.06 126.3 29.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -24.04 67.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.15 -45.0 71.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -52.8 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttp -54.44 -52.47 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.27 -30.63 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -90.47 -63.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.5 mt -45.47 -73.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 6.5 mp0 -51.87 179.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -124.1 -158.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -83.2 -24.57 32.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -38.96 81.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.485 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 14.8 t -75.22 -65.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.71 -24.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -56.46 -52.36 65.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -65.25 -33.55 76.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.7 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.41 143.46 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.49 128.04 42.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.6 mm -78.49 135.45 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mm -99.11 -57.89 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -144.95 160.54 41.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.12 94.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 158.15 16.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -126.3 130.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' ND2' ' HG3' ' A' ' 18' ' ' GLU . 2.0 m-80 -120.82 91.54 47.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.11 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.92 -15.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.64 30.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 19.1 mtm105 -115.04 179.11 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 126.02 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 27.4 mt-10 -104.64 101.74 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -124.89 121.4 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 146.34 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 37.2 p90 -158.65 -179.97 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.06 161.46 28.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.17 122.44 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -112.79 138.46 49.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -173.48 147.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.07 84.59 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.43 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -173.72 156.1 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.4 127.15 91.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -90.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -160.38 162.23 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 mt -60.2 -53.99 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 1.4 tttt -57.57 -49.57 75.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.33 -34.64 68.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.509 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 3.2 t -78.1 -33.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.37 -27.98 68.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.94 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -62.1 -36.87 83.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 21' ' ' PHE . 38.0 mt -55.34 -37.0 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ASN . 75.8 t -63.8 -42.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.27 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.6 t -76.56 -52.63 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.26 -37.65 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.9 t-20 70.16 56.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.27 -170.32 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -61.86 141.33 58.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.443 ' CB ' HG21 ' A' ' 40' ' ' VAL . 12.4 ptmt -102.64 -22.08 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.22 -51.17 48.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.218 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 m -99.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -136.16 134.53 38.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.77 174.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.24 156.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -57.28 2.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -163.58 162.32 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 171.96 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -157.4 126.16 5.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -90.18 128.55 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -71.95 134.81 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -84.26 -43.17 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.65 -54.88 4.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.0 -145.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.7 mt -116.0 43.31 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -106.03 172.08 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.38 136.25 9.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.1 tt0 -122.01 139.82 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.01 35.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 11.9 t80 -119.35 138.78 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 67' ' ' TYR . . . -103.67 158.42 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' NZ ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -139.82 150.21 44.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -142.7 136.14 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.582 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -109.39 -177.19 3.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -108.29 -42.55 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.97 124.4 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.64 -19.87 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 2.6 mmpt? -58.77 -43.59 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.35 -51.78 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.569 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 6.5 ttp -54.74 -49.56 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.32 -50.74 21.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -73.65 -61.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.46 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 mt -40.16 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.22 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 2.6 mm-40 -84.88 -174.44 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -130.55 -169.76 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -61.64 -19.72 62.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -50.93 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -78.92 -42.71 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -64.51 -19.66 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -62.72 -53.14 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -62.52 -33.41 74.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.446 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 15.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -121.43 146.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -139.58 128.83 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.065 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.9 mm -76.67 141.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.4 mm -105.6 -57.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -139.96 162.8 34.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 9.3 p-10 -134.04 87.37 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.98 154.73 17.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.31 132.49 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ARG . 5.4 m-80 -122.27 91.43 49.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.43 -69.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -71.14 -18.63 62.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 80.81 33.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' ASN . 31.2 mtm180 -126.22 166.05 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.12 126.19 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.45 106.69 16.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.18 132.99 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.636 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.75 142.26 44.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.188 . . . . 0.0 109.369 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.687 ' CE1' ' CD2' ' A' ' 39' ' ' LEU . 3.0 p90 -156.6 -179.62 8.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -125.26 159.08 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.404 ' N ' HG23 ' A' ' 22' ' ' THR . 7.5 p -146.34 132.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -133.65 150.49 51.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -160.72 166.22 29.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -118.27 103.34 9.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.36 155.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 72.81 100.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -96.8 115.65 65.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 4.8 m -127.72 177.76 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 HG23 ' CG1' ' A' ' 52' ' ' VAL . 2.0 mt -65.46 -52.82 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.4 OUTLIER -73.85 -27.64 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 31' ' ' SER . 3.5 t -78.94 -38.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.395 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.03 -27.32 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -52.4 -56.2 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -50.73 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.687 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 16.5 mt -51.35 -34.79 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.6 t -59.58 -43.16 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.25 64.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -67.47 -52.52 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -74.15 -33.0 63.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.2 t-20 57.13 63.24 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.38 -175.3 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.39 103.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.95 -25.45 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -58.88 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.0 m -91.82 52.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -133.42 135.53 44.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.48 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -153.41 175.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -105.53 146.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -170.81 161.52 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.26 172.43 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.23 123.87 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.9 145.08 48.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 21.3 mm -93.24 131.67 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -76.16 -48.59 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.3 -59.73 1.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.8 ptpt -128.49 -154.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.5 mt -98.43 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -96.84 170.41 9.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -158.23 116.58 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.3 tt0 -101.99 142.3 33.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.79 172.32 35.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.636 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.2 t80 -118.22 129.72 55.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' ' CE2' ' A' ' 21' ' ' PHE . . . -103.94 128.55 51.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.648 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -117.03 150.37 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.1 mt -123.79 136.36 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.648 ' CE2' ' NZ ' ' A' ' 69' ' ' LYS . 45.8 m-85 -95.99 174.09 7.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.72 -44.09 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.52 125.71 7.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.23 -19.66 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -49.91 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -72.55 -53.1 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 1.2 ttp -49.99 -45.11 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.32 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -99.85 -65.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.3 mt -40.42 -71.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -57.95 175.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -129.01 168.12 16.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.41 -23.55 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -48.01 80.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.92 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.413 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 95.7 t -71.09 -46.2 68.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -63.57 -53.71 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -67.74 -32.8 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 33.4 t30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.222 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.434 ' CG1' ' HB ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -119.29 148.85 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.63 130.65 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mm -79.7 134.88 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.19 -61.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -135.15 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.42 97.7 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 150.73 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -134.05 125.09 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.76 91.58 26.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.48 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.5 -59.95 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 mt -92.39 25.03 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 38.06 49.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -130.97 172.92 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -138.58 124.8 20.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.17 114.48 24.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.42 1.075 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.38 122.09 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.518 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 1.5 tppt? -91.32 134.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CE1' HD22 ' A' ' 39' ' ' LEU . 15.0 p90 -146.72 -179.64 6.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 111.035 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -139.84 166.05 25.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.447 ' N ' ' CG2' ' A' ' 22' ' ' THR . 10.6 p -143.05 133.93 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.0 132.28 56.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' C ' ' A' ' 27' ' ' ALA . 1.8 p90 -177.15 155.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.39 82.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' C ' ' CE2' ' A' ' 25' ' ' PHE . . . 176.17 -155.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.14 138.82 50.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -56.66 143.63 67.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 14.0 m -147.22 178.15 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 HG22 ' CG1' ' A' ' 52' ' ' VAL . 1.8 mt -67.36 -53.99 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.07 -44.47 91.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -32.4 69.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG1' ' CD1' ' A' ' 39' ' ' LEU . 69.1 t -78.75 -39.82 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.21 -27.14 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -64.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.8 -35.66 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.526 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 17.5 mt -62.78 -31.06 71.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.2 t -64.35 -40.3 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.85 -51.3 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.4 mt -72.47 -35.3 68.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.97 74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -156.71 -170.5 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -70.3 109.21 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -67.1 -24.3 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.19 -53.95 52.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.53 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 36' ' ' LYS . 3.3 tt -136.13 140.62 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -155.12 170.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.85 142.55 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -57.25 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -174.14 167.47 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -143.16 169.97 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.91 118.36 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -78.52 123.58 27.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 1.4 mt -63.85 135.47 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.32 -48.55 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.68 -63.19 0.88 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.567 1.167 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -115.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 0.729 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.9 mt -112.63 45.15 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -102.25 173.92 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' N ' ' OE1' ' A' ' 63' ' ' GLU . . . -157.69 134.6 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.14 141.93 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.56 167.03 35.61 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.518 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -115.87 131.61 56.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.966 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.41 126.09 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.05 147.13 45.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.9 mt -129.72 133.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 80.9 m-85 -89.1 -178.56 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.48 -46.01 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.4 129.77 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.7 OUTLIER -49.85 -22.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.35 74.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -51.42 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 9.4 ttp -52.23 -46.61 65.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -47.06 -30.57 2.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.7 m -100.04 -58.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 81' ' ' GLU . 5.2 mt -39.76 -66.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 2.7 mm-40 -84.59 -175.06 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.4 p -133.59 -179.16 5.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.445 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -25.88 15.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -50.81 69.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 81' ' ' GLU . 2.4 t -78.39 -50.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD13 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -53.14 -26.23 16.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -43.62 76.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -52.14 -68.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 33' ' ' LYS . 8.6 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 4' ' ' SER . 4.0 mt -127.43 147.59 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.404 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -130.18 126.78 38.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.6 mm -81.26 137.14 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.5 mm -96.64 -61.71 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.7 p -145.09 168.68 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -134.45 108.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 158.2 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -127.18 142.12 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' ARG . 30.1 m-80 -135.66 91.4 18.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.01 -33.85 4.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.9 mp -40.22 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -6.23 53.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 70.01 49.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -122.61 168.04 12.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.13 115.19 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -110.79 117.22 32.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mt -124.32 125.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -90.45 135.67 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 39' ' ' LEU . 11.8 p90 -150.26 -179.67 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.66 156.7 48.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 64' ' ' ALA . 4.1 p -135.26 128.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -115.84 141.88 47.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -176.47 146.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.35 94.84 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.14 -81.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.35 156.09 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.81 115.29 50.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -161.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.96 173.88 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 HG23 ' CG1' ' A' ' 52' ' ' VAL . 1.4 mt -71.61 -55.12 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -30.63 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.77 -30.11 40.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.23 -47.39 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -50.43 -28.05 7.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -57.41 9.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -49.88 59.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 21' ' ' PHE . 18.9 mt -51.52 -35.93 42.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.6 t -60.84 -44.67 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.51 62.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.15 -52.87 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.09 -35.1 61.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.2 t-20 66.42 50.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.44 -174.98 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.84 125.3 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -85.89 -14.15 45.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.59 -46.08 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.0 m -109.89 52.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.6 tt -136.23 135.02 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.19 164.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -99.54 144.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.428 ' OD1' ' NZ ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.81 -52.28 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.72 146.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 65' ' ' GLU . 3.8 tp -114.56 168.95 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.37 109.01 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -79.99 120.0 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.3 mt -66.01 128.68 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -76.55 -33.66 58.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.145 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.6 -43.79 53.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.9 ptpt -135.62 -145.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -116.9 43.7 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -104.56 167.1 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . -146.9 132.53 18.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' C ' HD12 ' A' ' 55' ' ' LEU . 5.7 tt0 -128.62 131.14 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' HA3' ' CD1' ' A' ' 55' ' ' LEU . . . -158.75 173.2 35.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -109.04 135.03 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 21' ' ' PHE . . . -108.24 124.35 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HE3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.67 150.18 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 50' ' ' LEU . 15.8 mt -134.25 132.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 18.1 m-85 -88.04 171.62 10.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -101.75 -33.61 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -160.65 143.95 13.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.23 -34.28 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -44.64 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.23 -52.43 12.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.614 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttp -54.34 -47.37 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.24 -43.14 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.6 m -82.57 -64.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.063 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.428 ' CG2' ' NH2' ' A' ' 16' ' ' ARG . 6.4 mt -40.04 -60.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 2.3 mm-40 -92.13 -179.34 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 p -130.64 -157.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.18 -14.52 63.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -50.86 71.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.609 1.193 . . . . 0.0 109.993 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.1 t -82.37 -45.52 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -58.14 -22.62 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -57.16 -47.88 80.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.249 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 11.0 mtpt -52.02 -68.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 mt -117.48 131.52 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.2 126.24 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.2 mm -77.92 132.4 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mm -95.39 -56.4 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 109.233 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 p -138.68 159.73 41.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -134.05 91.51 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.43 149.1 26.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -124.34 137.96 54.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 18' ' ' GLU . 26.3 m-80 -127.35 91.37 46.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.42 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.51 -19.2 65.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 23.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -117.86 171.52 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.5 tpt180 -116.27 142.54 46.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 5.8 mt-10 -129.87 93.3 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -124.75 130.38 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.98 144.59 35.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -160.96 -179.74 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.86 153.58 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 55' ' ' LEU . 2.2 p -137.8 131.32 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.07 148.61 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -154.01 -172.9 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 28' ' ' ALA . 4.7 m-20 -122.32 89.17 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 70.63 -60.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.51 109.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -103.29 106.66 52.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m -132.58 -167.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -72.27 -57.33 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.54 -44.33 87.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.0 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 39' ' ' LEU . 3.7 t -78.6 -42.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' CD ' ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.25 -32.26 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -53.63 36.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.12 -47.21 59.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 35' ' ' VAL . 62.4 mt -51.01 -41.08 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 47' ' ' LYS . 7.5 t -55.37 -42.53 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.19 62.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.96 -52.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 70' ' ' ILE . 21.4 mt -75.14 -41.21 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.8 t-20 73.4 51.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.39 -169.4 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -75.19 116.48 15.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.51 -26.25 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.76 -38.62 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 4.0 m -122.41 62.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 2.8 tt -136.05 134.43 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.4 t -153.23 172.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.29 153.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -83.14 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -176.95 159.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -133.69 170.5 15.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.38 124.59 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -70.51 139.86 51.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 26.2 mm -89.16 132.87 32.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLY . 34.6 t80 -76.24 -49.41 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -36.67 -54.19 1.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.6 ptpt -134.78 -151.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.9 mt -101.59 40.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.434 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -95.46 174.01 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.81 119.36 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -101.95 142.68 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.24 173.5 37.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.5 t80 -120.75 151.96 38.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.06 151.14 40.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.11 150.4 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 43' ' ' LEU . 30.5 mt -139.77 133.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.8 p90 -115.19 150.81 35.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -79.64 -36.5 37.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.17 144.22 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.88 -30.81 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -41.76 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.18 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.605 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.2 ttp -54.63 -50.71 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -46.69 -44.14 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 m -76.39 -54.26 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.6 mt -41.06 -70.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.478 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 2.2 mm-40 -86.58 175.38 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -105.63 -167.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.86 -27.12 66.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -56.3 -47.61 78.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.537 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 3.5 t -79.93 -53.03 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.407 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 11.3 mt -55.27 -21.01 12.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -59.97 -53.79 53.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.2 ptmt -52.43 -34.42 48.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 4' ' ' SER . 3.0 mt -122.0 145.16 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -141.49 131.88 25.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mm -81.42 133.99 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -96.98 -58.39 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -143.19 164.43 30.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -134.42 97.82 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.3 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -116.64 126.67 53.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.43 91.63 49.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.86 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -50.16 -61.62 2.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.63 -16.31 62.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 59.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -177.88 142.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.8 ttt180 -108.56 141.16 40.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.574 1.172 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -126.05 121.7 33.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 mt -122.55 123.5 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -88.8 134.94 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 5.1 p90 -155.81 -179.43 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.45 156.83 44.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.424 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -142.23 129.56 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -131.1 156.72 44.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -154.79 -176.51 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.9 m-20 -101.43 80.57 2.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' ASP . . . 59.29 155.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.47 136.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -113.21 141.99 26.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -90.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 1.5 m 179.94 -179.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.16 -57.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -58.46 -35.03 71.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.77 -27.58 60.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 31' ' ' SER . 3.0 t -81.43 -55.33 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.208 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -50.05 -25.49 3.46 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -52.27 -52.7 51.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -51.28 42.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD23 ' CZ ' ' A' ' 21' ' ' PHE . 1.3 mt -51.98 -37.28 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG2' HD22 ' A' ' 50' ' ' LEU . 2.2 t -55.39 -39.33 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.93 58.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.61 -51.51 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.52 -31.7 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' VAL . 15.5 t-20 55.02 55.58 7.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.5 -170.49 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -73.7 98.84 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -22.94 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.56 -64.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.7 m -97.08 55.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.501 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 3.4 tt -134.82 134.41 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.501 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -154.56 176.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t -109.29 150.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.06 161.89 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 HD13 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -140.08 169.47 17.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.17 115.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -78.06 122.76 26.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.4 mt -63.61 142.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -87.3 -47.21 9.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.41 -56.38 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.5 ptpt -122.76 -153.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -107.19 44.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -102.15 171.51 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -159.31 135.82 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -124.43 141.52 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.12 161.26 31.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -106.02 132.87 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 0.824 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.63 124.55 49.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' NZ ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -124.25 148.82 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 50' ' ' LEU . 49.8 mt -138.73 140.02 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -100.02 141.01 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.81 -37.69 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.91 134.67 5.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.3 mp0 -58.37 -19.29 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.12 -44.27 83.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -80.97 -53.94 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -50.7 -44.35 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -51.8 -31.55 27.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -99.97 -66.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 29.7 mt -46.67 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -45.38 153.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 p -109.09 169.51 8.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -52.44 -23.98 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 39.5 t -74.04 -51.65 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' N ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.84 -23.33 66.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 1.067 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.64 -49.75 74.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -49.31 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.451 ' HB3' ' CG1' ' A' ' 51' ' ' VAL . 8.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.41 ' CG1' ' HB ' ' A' ' 23' ' ' VAL . 1.3 mt -115.32 144.97 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.14 125.29 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.0 mm -82.11 133.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 mm -98.24 -58.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.87 162.95 33.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.19 100.94 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 159.21 17.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -133.91 132.45 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.4 m-80 -124.06 91.51 49.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.531 1.806 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.9 -63.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -92.02 25.5 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.51 33.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 16.9 mtm-85 -107.41 168.95 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.9 123.52 37.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.18 125.7 71.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -117.56 139.04 51.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CD2' ' A' ' 39' ' ' LEU . 3.1 p90 -159.95 179.89 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.31 157.3 37.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 ' HB ' ' CG1' ' A' ' 3' ' ' ILE . 2.1 p -126.7 123.66 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -105.48 138.18 42.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -170.95 145.72 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -128.96 99.57 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 170.73 -93.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.92 156.95 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -80.24 123.23 83.31 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -118.61 -170.49 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -72.08 -57.2 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -54.56 -51.54 64.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -34.93 59.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 2.7 t -78.24 -36.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.83 -20.99 61.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.445 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -63.1 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.568 ' CD2' ' CZ ' ' A' ' 21' ' ' PHE . 22.7 mt -58.84 -40.37 84.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' ASN . 3.8 t -56.38 -43.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.99 63.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.94 -52.66 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.8 mt -74.65 -40.64 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' VAL . 8.9 t-20 74.13 45.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.71 -170.73 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.42 ' ND2' HG23 ' A' ' 49' ' ' VAL . 14.6 t-20 -65.29 148.77 51.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -31.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -61.4 -13.8 22.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG23 ' ND2' ' A' ' 46' ' ' ASN . 31.2 m -138.31 47.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 3.7 tt -136.37 134.05 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.5 t -153.64 173.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -107.75 151.09 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.27 -56.6 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -165.99 166.55 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.355 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -147.41 170.83 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -155.86 120.5 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -69.1 144.57 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.5 mm -90.72 130.82 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.91 -25.76 34.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.52 -49.89 69.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -140.74 -151.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.84 44.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.376 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 169.21 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.88 120.67 4.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.2 tt0 -101.72 138.57 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.37 168.52 35.31 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 8.9 t80 -117.11 141.98 47.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' TYR . . . -107.19 165.3 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 148.39 32.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 50' ' ' LEU . 86.9 mt -144.45 143.13 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 16' ' ' ARG . 2.1 t80 -121.39 -175.66 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.063 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.98 -55.81 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 130.47 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.39 -19.38 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -58.63 -50.37 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.6 -51.85 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.478 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 1.4 ttp -52.34 -47.37 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.77 -29.21 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.8 m -89.91 -65.28 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.6 mt -47.27 -75.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -43.76 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -120.9 176.88 5.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -60.16 -15.73 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -44.96 36.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 74.1 t -73.41 -54.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -25.9 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.77 -49.94 69.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.24 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -49.33 -64.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.7 t30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.463 ' CG1' ' HB ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -107.02 142.85 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.85 126.2 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -78.39 134.76 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.1 mm -98.25 -57.12 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -140.22 168.92 18.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -134.23 101.71 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.94 138.65 43.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.093 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -126.32 125.94 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -124.3 91.75 49.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.38 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -47.21 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.66 -14.24 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.92 50.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -160.43 145.92 14.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -105.11 135.66 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -121.9 115.76 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -125.42 136.51 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' CG ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.08 142.3 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CE2' HD21 ' A' ' 39' ' ' LEU . 42.0 p90 -157.1 -179.85 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.34 142.09 50.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.572 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 3.4 p -125.07 129.08 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -95.29 139.07 32.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 23' ' ' VAL . 75.4 m-85 -129.09 166.02 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 4.5 m-20 -157.89 68.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 26' ' ' ASP . . . 160.87 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.87 156.23 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 135.53 47.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 64.2 m -159.98 -176.92 5.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.073 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.39 -55.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -60.57 -41.66 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' MET . 1.1 t70 -57.46 -35.28 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 31' ' ' SER . 97.3 t -80.09 -51.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.31 -26.79 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 1.2 mtm -51.47 -57.34 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -50.32 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 21' ' ' PHE . 9.4 mt -50.04 -36.23 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.9 t -58.64 -42.67 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.04 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.51 -51.73 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.71 -33.1 68.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 71.07 63.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.98 -169.89 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -83.33 -172.1 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 49' ' ' VAL . 14.4 ptmt -112.44 -133.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 mt-30 34.72 -95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 6.3 m -40.15 -29.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 1.1 tt -83.28 134.73 34.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -154.88 175.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.3 t -104.52 143.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -73.92 -56.94 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.22 160.82 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 168.59 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.44 120.58 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.94 140.7 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mm -88.82 134.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.8 -45.95 17.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.4 -48.85 2.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.7 ptpt -144.35 -156.37 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.8 mt -93.74 39.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.28 165.01 12.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.55 132.87 13.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.03 139.71 49.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.28 166.68 33.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.61 ' CD2' ' CG ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -119.44 138.69 52.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 0.822 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.98 145.05 49.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.2 mt -134.91 136.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.196 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.588 ' CE2' ' HB2' ' A' ' 77' ' ' MET . 0.7 OUTLIER -113.64 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -112.57 -53.15 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 122.97 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 12.4 mt-10 -59.1 -19.38 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -58.76 -43.56 90.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.06 -52.84 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.588 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttt -54.58 -49.45 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -51.62 -29.48 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 m -91.54 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 81' ' ' GLU . 10.0 mt -46.28 -69.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.475 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 2.9 mp0 -57.97 165.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 p -116.57 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -50.1 -26.8 4.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -44.59 82.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.046 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 47.7 t -79.92 -56.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.403 ' N ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -52.81 -22.35 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.85 -50.98 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 7.9 mtpt -49.55 -67.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mt -116.26 140.13 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.417 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.83 125.09 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 mm -85.42 129.4 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -94.49 -60.54 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -137.01 158.66 43.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -132.39 87.76 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.12 157.19 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -127.6 138.04 52.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.2 m-80 -116.72 91.82 36.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -45.56 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.56 -14.07 61.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.25 25.37 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.526 ' NH1' ' CB ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -108.54 178.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.04 129.48 50.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' OE1' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 mt-10 -112.11 102.33 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mt -125.15 134.64 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -119.82 135.3 54.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.483 ' CZ ' ' CD2' ' A' ' 39' ' ' LEU . 6.1 p90 -159.74 179.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.75 156.43 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -132.11 129.5 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.53 140.92 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -141.17 179.85 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 3.6 m-20 -99.72 79.12 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 59.73 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ALA . . . 61.91 128.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 t -94.22 147.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.42 1.747 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 1.6 m 177.8 -179.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -71.99 -57.49 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -58.55 -29.53 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.34 -29.84 34.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 31' ' ' SER . 3.4 t -78.69 -38.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.4 -21.45 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -61.67 -64.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.496 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.65 -31.88 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.483 ' CD2' ' CZ ' ' A' ' 21' ' ' PHE . 35.5 mt -59.82 -30.65 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 72.5 t -54.75 -37.44 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.33 26.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.03 -51.66 69.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 70' ' ' ILE . 15.4 mt -72.27 -38.56 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 67.33 54.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.52 -170.33 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -70.48 135.07 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -19.25 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 4.9 mt-30 -98.41 173.39 6.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.573 ' HA ' ' CE1' ' A' ' 71' ' ' TYR . 9.9 m 49.01 25.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -129.63 134.61 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.48 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.6 t -153.53 173.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.8 t -100.45 151.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -86.69 -55.52 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -168.41 159.49 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.414 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.71 169.19 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.05 129.1 3.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.49 146.72 50.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LYS . 34.6 mm -98.69 132.05 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -77.88 -42.29 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.68 -50.74 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' ILE . 4.8 ptpt -142.99 -153.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt -97.59 49.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 167.07 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.23 120.16 4.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.84 141.24 35.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 54' ' ' THR . . . -159.5 157.71 28.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.56 ' CD2' ' HE3' ' A' ' 20' ' ' LYS . 1.2 t80 -103.56 146.52 28.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . . . -117.35 151.65 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.47 143.84 44.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 43' ' ' LEU . 30.7 mt -137.76 132.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 49' ' ' VAL . 1.4 p90 -115.04 170.29 8.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -85.09 -37.04 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.73 151.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.3 -19.4 62.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -56.09 -42.16 76.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.412 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . . . -77.11 -52.97 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.69 -46.27 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.73 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -95.36 -56.42 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.41 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -40.23 -71.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -93.17 178.83 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 p -121.41 -160.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -62.89 -15.0 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -51.09 70.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 9.0 t -82.57 -41.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -63.26 -18.53 63.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -62.6 -53.56 52.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.0 ptmt -53.97 -34.31 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.444 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.0 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.5 mt -134.17 141.61 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.99 127.78 39.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 mm -74.28 140.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -104.66 -56.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -141.89 160.06 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -134.31 92.54 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 153.81 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -129.82 121.75 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 16' ' ' ARG . 4.4 p30 -123.1 91.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.03 -32.12 5.6 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.8 mp -40.03 -60.73 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 23.1 mt -79.35 -19.69 49.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 83.6 27.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.489 ' NH2' ' N ' ' A' ' 77' ' ' MET . 4.6 mmt-85 -122.68 170.01 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.2 122.96 38.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.81 107.8 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -125.06 131.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -104.06 145.36 30.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CE1' ' HB1' ' A' ' 68' ' ' ALA . 31.1 p90 -155.81 -179.97 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.85 159.64 37.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 64' ' ' ALA . 2.5 p -134.89 130.64 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.35 134.33 55.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.2 p90 -171.5 148.64 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.5 89.63 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 175.19 -80.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -169.93 156.39 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -81.72 138.47 47.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 4.1 m -170.62 177.96 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.62 -57.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.363 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -35.81 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 31' ' ' SER . 4.0 t -79.14 -35.73 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -67.22 -24.13 65.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 mmm -57.12 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.76 -36.75 81.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.506 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 46.7 mt -64.08 -31.24 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -59.8 -45.81 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.67 65.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.2 t -67.5 -52.58 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 70' ' ' ILE . 60.1 mt -73.68 -35.95 65.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.4 t-20 59.11 71.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.49 -173.71 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -59.5 118.58 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' CB ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -78.72 -26.62 44.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.2 -60.06 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.11 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -134.88 134.99 41.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.492 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.1 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -111.42 143.56 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -76.13 -57.18 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.15 162.03 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -142.68 168.35 19.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -162.37 122.64 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.37 126.92 34.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.27 128.82 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -80.8 -29.94 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.94 -55.65 24.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.616 1.198 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.96 -145.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -113.2 42.09 1.99 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.04 173.37 6.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -159.4 136.77 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.4 tt0 -124.59 140.84 52.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 55' ' ' LEU . . . -161.76 164.62 35.33 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.571 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -111.97 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 21' ' ' PHE . . . -105.03 126.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.571 ' HE2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -118.82 138.91 52.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CD1' HD12 ' A' ' 43' ' ' LEU . 46.3 mt -118.58 132.1 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 77' ' ' MET . 64.0 m-85 -90.73 -177.41 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 4.2 m-20 -133.77 -46.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -144.08 128.04 17.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.46 -29.01 67.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.55 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -71.33 -52.41 18.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 71' ' ' TYR . 1.2 ttp -52.14 -46.24 65.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.36 -32.9 5.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -99.4 -65.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ALA . 9.5 mt -41.51 -70.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.464 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 1.2 mp0 -56.22 167.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -120.17 171.97 8.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -55.96 -18.74 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -41.34 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.483 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 3.6 t -76.29 -61.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -50.86 -22.78 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.8 -53.38 58.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 2.1 ptmt -56.56 -34.17 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.2 t-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 39' ' ' LEU . 5.4 mt -110.89 147.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.56 127.15 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.3 mm -81.63 133.44 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mm -96.64 -56.9 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -145.75 166.28 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.25 98.83 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.84 155.55 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -131.88 131.12 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' HG3' ' A' ' 18' ' ' GLU . 46.4 m-80 -122.35 91.35 49.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.65 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -41.62 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.84 -13.96 60.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 69.91 53.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -140.16 167.18 22.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.03 127.96 55.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 63.6 mt-10 -116.12 101.21 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.77 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -120.24 139.19 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 68' ' ' ALA . 2.1 p90 -158.17 -179.89 8.53 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.6 1.187 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.02 155.82 29.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 p -133.12 128.25 55.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.32 144.63 51.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.522 ' CZ ' ' OG1' ' A' ' 29' ' ' THR . 8.7 p90 -149.41 -173.82 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -109.03 80.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 70.61 -60.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.77 112.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.522 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.72 101.1 52.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 8.0 m -115.33 -171.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -71.98 -57.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.3 -35.79 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -36.73 77.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 31' ' ' SER . 39.5 t -77.91 -32.81 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -33.31 53.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.27 33.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.01 -44.48 69.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.267 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 21' ' ' PHE . 95.2 mt -55.3 -37.41 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 47' ' ' LYS . 3.1 t -56.32 -41.83 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.25 -39.46 63.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.87 -48.38 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.0 mt -75.37 -44.43 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.6 t-20 67.91 76.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.07 -170.55 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.65 121.51 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' CB ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -82.64 -27.33 31.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.1 -39.58 82.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.7 56.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 2.5 tt -136.16 134.58 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.67 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.477 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.1 t -112.01 154.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -55.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -166.68 161.61 15.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.92 169.12 18.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.33 120.67 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -84.89 130.37 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.24 137.15 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.27 -42.92 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.19 -66.51 1.04 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.4 ptpt -110.43 -144.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -117.14 43.77 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.86 169.82 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.1 133.85 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.96 141.01 48.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.86 161.4 31.86 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -114.53 133.43 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.56 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . . . -104.91 137.64 42.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.552 ' NZ ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -132.0 145.39 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 71' ' ' TYR . 24.3 mt -131.6 137.25 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.552 ' CE1' ' NZ ' ' A' ' 69' ' ' LYS . 9.7 m-85 -95.0 -177.12 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -107.91 -56.12 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.94 125.07 14.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 5.8 mp0 -50.83 -21.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -50.55 71.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -76.17 -53.03 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.565 ' O ' ' CG ' ' A' ' 81' ' ' GLU . 2.2 ttt -50.06 -53.44 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -46.42 -26.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -99.88 -67.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 76' ' ' ALA . 77.6 mt -47.73 -61.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 77' ' ' MET . 0.4 OUTLIER -46.81 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.445 ' C ' ' OE2' ' A' ' 81' ' ' GLU . 36.3 p -134.44 166.54 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -57.05 -17.57 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.8 -39.86 42.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.404 ' HB ' ' OE1' ' A' ' 81' ' ' GLU . 6.4 t -69.94 -67.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -48.65 -27.41 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.12 -46.7 68.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ASN . 2.0 mppt? -50.05 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' LYS . 38.8 t-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.442 HD13 ' CE1' ' A' ' 21' ' ' PHE . 2.0 mt -109.86 141.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 128.13 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.0 mm -76.38 136.88 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -97.07 -59.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -139.45 170.4 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -133.96 89.93 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.28 142.62 39.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -127.64 144.36 51.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.21 91.51 41.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.16 3.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -53.02 -59.85 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' ' CD1' ' A' ' 80' ' ' ILE . 33.7 mt -73.78 -11.14 60.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.54 63.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -177.78 142.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 6.2 ttt180 -98.63 128.11 44.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -99.52 93.46 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 1.9 mm -96.0 144.19 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -124.44 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 9.3 p90 -161.29 -179.08 7.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -136.47 162.95 31.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 ' N ' ' CG2' ' A' ' 22' ' ' THR . 11.4 p -142.47 134.52 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.6 145.95 38.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -169.07 164.15 11.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.49 96.91 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 75.77 -59.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.07 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -91.96 112.49 55.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 73.8 m -154.21 -179.01 7.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -59.57 -56.93 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.87 -52.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -30.69 62.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 31' ' ' SER . 6.9 t -79.07 -54.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -55.76 -24.8 37.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.7 -33.26 66.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 21' ' ' PHE . 13.3 mt -65.0 -30.94 71.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.0 OUTLIER -55.24 -46.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -39.38 63.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 38' ' ' LYS . 39.3 t -59.97 -52.6 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.69 -24.82 44.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.213 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 45.3 57.23 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 -172.23 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -62.69 115.69 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.449 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 2.5 ptmt -79.44 -13.55 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -72.67 -42.16 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 m -115.23 50.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.494 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -135.4 134.6 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.76 175.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.98 142.0 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -57.07 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -177.28 165.28 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -133.52 169.07 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.44 122.31 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -63.94 147.03 52.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.9 mm -93.34 134.16 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.87 -33.43 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.41 34.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.153 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.0 ptpt -148.77 -153.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.4 mt -90.37 40.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.62 161.67 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.226 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.42 130.71 18.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.8 148.34 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.1 167.01 37.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.578 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 1.1 t80 -115.05 136.72 52.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.07 53.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -124.73 148.14 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.7 mt -130.37 130.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 1.3 m-85 -87.9 141.15 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.15 -29.83 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.84 123.58 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -45.93 84.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.84 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -54.2 -46.1 72.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.2 -47.03 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.9 m -80.76 -57.24 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 8.3 mt -39.96 -65.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 3.0 mm-40 -87.51 -174.81 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -125.27 -163.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.49 -12.42 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.12 -50.69 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.491 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 2.6 t -80.93 -41.27 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -64.44 -19.34 65.48 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -62.38 -52.94 61.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 2.4 ptmt -56.09 -34.25 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.463 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 18.5 t-20 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.67 142.4 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.26 127.19 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.029 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 mm -86.28 132.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.14 -64.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.395 1.06 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.12 162.04 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -134.05 96.63 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 159.09 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -129.48 140.93 51.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -128.39 91.14 44.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -36.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -39.92 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.52 -12.58 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.05 34.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.61 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 18.9 mtm105 -117.94 171.65 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.16 142.26 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -131.94 98.13 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.228 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.16 142.9 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -112.6 142.19 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 39' ' ' LEU . 9.7 p90 -158.45 -179.62 8.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.98 156.14 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' A' ' 64' ' ' ALA . 6.7 p -127.49 129.94 70.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -117.26 126.07 52.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.85 146.7 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -127.4 93.27 3.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.12 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.53 155.66 39.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -76.22 120.9 83.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -116.06 172.72 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.439 HG22 ' CG1' ' A' ' 52' ' ' VAL . 2.1 mt -63.87 -54.77 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' CD ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -50.91 -41.5 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -28.84 66.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 5.3 t -79.23 -41.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -64.2 -23.84 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.11 -64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.88 -37.17 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 21' ' ' PHE . 13.5 mt -57.95 -32.12 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 5.3 t -68.09 -41.57 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.18 -25.76 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.87 -50.56 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.64 -37.59 65.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.8 t-20 70.49 64.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.54 -174.37 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.25 138.66 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 1.9 ptmt -93.81 -13.02 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -38.22 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -117.63 47.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.493 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 6.1 tt -136.64 135.87 38.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.6 164.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' CG1' HG22 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -95.67 144.39 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -57.22 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -171.58 160.99 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.04 169.1 18.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.2 120.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.03 145.76 55.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 30.3 mm -92.25 132.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -79.63 -30.76 41.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.72 -51.55 48.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -142.1 -154.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -92.3 39.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 1.2 tt0 -98.04 167.35 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.473 ' CB ' HG13 ' A' ' 23' ' ' VAL . . . -155.11 120.24 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.4 tt0 -101.71 141.17 34.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.33 165.1 34.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -113.11 138.16 50.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.97 146.86 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.49 147.96 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 71' ' ' TYR . 35.5 mt -136.68 139.07 45.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.61 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -114.25 179.85 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -106.03 -38.96 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.65 146.79 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 49.0 mt-10 -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -61.54 -42.7 99.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -79.38 -50.99 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 10.7 ttp -55.18 -48.39 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -46.98 -50.97 18.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 80' ' ' ILE . 13.2 m -75.01 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 81' ' ' GLU . 7.3 mt -40.25 -66.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 2.6 mm-40 -89.51 -172.46 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.269 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.7 p -122.36 -164.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.91 -26.31 64.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.37 -46.39 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -79.12 -46.17 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 77' ' ' MET . 0.1 OUTLIER -61.13 -19.48 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -63.01 -53.39 54.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 1.6 ptmt -62.01 -33.82 75.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 18.3 t30 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 mt -134.73 142.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 125.59 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 109.966 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.4 mm -76.36 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.455 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 14.3 mm -100.52 -56.28 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -146.6 156.33 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.072 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -134.26 90.56 2.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 158.63 15.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.3 130.83 45.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' ARG . 46.5 m-80 -122.9 91.49 49.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.71 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.77 -15.57 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.219 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.57 40.76 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ASN . 24.9 mtm105 -128.31 170.78 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 139.34 54.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.01 100.42 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.627 1.205 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -124.98 127.71 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 148.39 26.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 39' ' ' LEU . 33.9 p90 -161.21 -179.8 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -135.5 147.89 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' ALA . 7.4 p -129.99 131.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.093 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -119.98 155.51 32.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 32.1 p90 -169.34 166.64 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -97.45 83.62 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 71.8 -59.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.77 108.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.4 109.8 60.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.373 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 16.2 m -122.75 -174.84 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -68.42 -57.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.81 -35.37 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.5 OUTLIER -74.77 -27.93 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 31' ' ' SER . 3.2 t -81.29 -55.21 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -51.29 -25.91 6.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -51.53 -50.93 59.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -49.47 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 21' ' ' PHE . 83.9 mt -51.43 -35.57 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 2.3 t -55.18 -43.02 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.75 -40.07 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.23 -52.69 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -41.23 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.3 t-20 67.56 60.18 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.59 -170.19 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 42.1 t-20 -72.99 91.56 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.72 -23.22 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CD ' ' OD1' ' A' ' 46' ' ' ASN . 34.2 mt-30 -58.24 -71.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 m -88.24 55.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 6.6 tt -136.4 136.86 39.93 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.6 t -153.46 174.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.1 t -111.03 154.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -57.07 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -171.52 168.26 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -147.02 167.75 23.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.3 122.85 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.455 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 37.3 tt0 -80.72 117.87 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.8 mt -63.94 146.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.419 ' N ' HG22 ' A' ' 58' ' ' ILE . 32.3 t80 -92.36 -34.29 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.92 -60.06 2.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' NZ ' ' HE2' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -114.8 -111.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.4 mt -149.7 21.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.582 ' HE2' ' NZ ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -92.38 176.47 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 57' ' ' GLN . . . -151.91 150.59 30.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -124.93 142.5 51.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.3 157.81 30.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 1.6 t80 -107.99 143.67 36.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.43 140.02 46.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.44 ' NZ ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -131.79 144.41 50.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 50' ' ' LEU . 24.9 mt -138.83 134.58 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.6 p90 -114.27 151.06 33.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.54 -35.19 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -151.19 141.49 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.06 -31.19 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -43.87 71.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.93 9.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.194 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 ttp -53.59 -50.45 65.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . . . -47.42 -32.24 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 80' ' ' ILE . 5.2 m -88.57 -50.03 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 79' ' ' THR . 68.7 mt -40.07 -67.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 1.4 mm-40 -98.91 -176.23 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 110.228 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -103.98 -167.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -68.23 -12.22 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.246 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -62.68 -50.73 70.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.093 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -75.97 -40.42 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -67.59 -22.77 65.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.0 -45.7 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -53.1 -69.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.7 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' CD1' HD23 ' A' ' 39' ' ' LEU . 2.6 mt -112.55 140.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.08 126.74 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.2 mm -80.21 129.53 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.4 mm -92.65 -58.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.37 156.18 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -133.9 91.05 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.46 155.89 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -131.72 134.03 45.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -125.74 91.38 48.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -40.34 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.05 -13.83 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.4 35.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.186 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.716 ' NH2' ' H ' ' A' ' 72' ' ' ASN . 0.7 OUTLIER -117.54 172.84 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.09 127.23 26.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -120.45 107.45 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mt -125.12 127.72 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.36 143.41 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 29.7 p90 -160.5 -179.53 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.2 148.2 52.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.386 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' HB1' ' A' ' 64' ' ' ALA . 9.7 p -121.92 129.87 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 135.88 54.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -167.36 146.1 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.46 92.51 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.08 -78.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.94 159.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.1 116.49 59.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.84 174.42 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.068 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.22 -57.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.97 -29.13 64.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -75.13 -34.28 61.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 39' ' ' LEU . 16.4 t -79.71 -47.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.47 -28.27 5.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.04 -56.16 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -45.71 60.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 35' ' ' VAL . 64.8 mt -49.61 -39.16 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.2 t -55.11 -42.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -40.29 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.81 -52.53 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.8 mt -73.44 -41.12 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.2 t-20 70.78 54.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.3 -172.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.35 122.45 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.38 -37.83 39.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 1.8 mt-30 -86.89 -179.18 6.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 48' ' ' GLN . 16.7 m 47.96 31.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 2.7 tt -135.45 133.45 38.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.3 t -154.39 174.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 t -104.57 150.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -80.49 -55.97 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.69 164.89 12.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -144.59 168.05 21.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.25 117.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -65.08 143.36 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.41 HG13 ' HB3' ' A' ' 63' ' ' GLU . 5.9 mm -91.45 133.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -78.76 -44.56 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.1 -57.44 2.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.3 ptpt -137.31 -156.32 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.8 mt -91.98 45.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HB3' HG13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -104.47 163.69 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.454 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -151.27 130.4 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.03 140.38 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.69 38.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -116.56 144.48 44.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.067 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.73 158.77 16.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.617 ' CE ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -145.11 148.34 33.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 50' ' ' LEU . 73.3 mt -144.08 128.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' LYS . 1.2 m-85 -107.15 156.01 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.716 ' H ' ' NH2' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -75.44 -73.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -128.11 127.91 43.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 -24.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 73' ' ' ASP . 1.6 mtmt -56.14 -49.59 73.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.66 -53.08 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.1 ttp -51.77 -44.82 63.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.28 -30.08 11.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 m -99.3 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.7 mt -44.75 -74.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.1 175.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.7 p -129.72 177.82 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -25.44 60.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -41.81 98.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.44 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 2.9 t -77.92 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -24.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -56.84 -47.32 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.3 ptmt -62.63 -34.57 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.407 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.454 0.169 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.48 101.19 9.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.18 146.83 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.73 127.59 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mm -80.58 132.0 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.0 mm -95.13 -58.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -140.83 162.83 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 146.34 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -120.39 125.97 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.2 m-80 -116.59 91.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.13 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.45 -63.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 2.1 mt -92.21 25.32 2.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.37 38.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 22.0 mtm-85 -114.2 169.68 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -128.42 124.31 35.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 16.4 mt-10 -106.39 100.33 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.393 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.19 115.1 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 144.16 28.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.564 1.165 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 39' ' ' LEU . 37.1 p90 -160.07 179.97 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.35 150.14 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.413 ' CG1' HD11 ' A' ' 55' ' ' LEU . 7.3 p -134.46 130.01 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -131.53 145.29 51.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 15.8 p90 -154.38 158.5 40.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.05 78.98 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 75.8 -57.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.25 112.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.415 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.89 106.36 55.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.507 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 15.5 m -119.41 -169.09 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -71.73 -57.15 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.44 -41.71 97.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.11 -50.9 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 31' ' ' SER . 72.2 t -63.33 -31.29 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' CD ' ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -61.38 -34.95 76.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -61.8 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.077 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -47.51 73.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 21' ' ' PHE . 19.9 mt -51.51 -35.1 38.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 47' ' ' LYS . 3.4 t -64.9 -42.21 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.33 61.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -77.14 -51.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.74 -36.06 65.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.8 t-20 65.71 61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.06 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.29 -177.39 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -64.59 116.33 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 10.8 ptmt -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.55 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.8 tt -134.31 134.84 42.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -153.32 175.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.2 t -108.8 156.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.34 -56.97 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.16 167.59 12.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -151.62 171.32 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 128.85 10.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.79 147.13 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.9 mm -94.2 140.61 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -88.0 -40.23 14.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.27 2.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.2 ptpt -120.55 -154.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.4 mt -103.47 53.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -119.44 158.48 26.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.225 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.415 ' N ' ' OE2' ' A' ' 63' ' ' GLU . . . -146.58 126.4 13.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.93 141.95 35.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.41 172.62 36.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -125.05 138.21 54.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.46 161.71 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 149.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' ARG . 77.6 mt -144.74 141.99 23.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 16' ' ' ARG . 2.0 t80 -118.19 -175.05 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -105.78 -55.78 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.48 131.63 40.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.15 -19.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -50.3 73.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.82 -52.8 15.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.453 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 4.5 ttp -51.48 -46.06 62.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.85 -28.79 37.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -92.88 -61.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.6 mt -50.45 -79.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 3.1 mp0 -45.8 171.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -118.37 168.28 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.77 -21.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 57.2 t -70.62 -42.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -72.14 -21.1 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.67 -51.6 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.231 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -48.94 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -41.09 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -62.73 163.12 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.6 mm -57.67 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.81 167.89 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -110.51 -179.98 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 11.6 pt-20 -88.14 -158.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . 164.53 86.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -40.49 -65.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -166.68 162.87 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.59 -49.31 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.2 m -77.64 137.77 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.29 168.9 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 57.62 164.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.54 0.209 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.03 110.7 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.29 143.72 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.03 126.73 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.47 HD13 ' CG1' ' A' ' 42' ' ' VAL . 16.0 mm -79.43 132.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -91.73 -58.61 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -142.22 163.39 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -134.07 94.93 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 157.41 17.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -130.94 134.61 46.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 9.8 m-80 -122.4 91.41 49.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.16 2.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mp -44.92 -62.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . 11.7 mt -92.41 24.33 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.418 ' HG2' ' ND2' ' A' ' 72' ' ' ASN . 0.7 OUTLIER 38.08 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . 7.3 mtm-85 -109.59 177.54 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 128.68 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.268 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -116.64 103.21 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.75 127.94 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 146.12 30.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.551 ' CE1' HD21 ' A' ' 39' ' ' LEU . 30.0 p90 -160.55 -179.97 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.6 160.84 36.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 64' ' ' ALA . 3.3 p -133.12 129.33 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -110.97 141.42 44.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -177.05 152.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -131.79 93.13 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' ASP . . . 163.04 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -164.12 141.58 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.16 143.56 65.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.0 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 62.6 m -100.7 -174.7 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.09 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -72.13 -56.43 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.92 -43.99 97.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -32.75 69.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 31' ' ' SER . 16.5 t -78.4 -45.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.34 -29.62 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -57.24 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -48.58 24.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 21' ' ' PHE . 19.7 mt -50.99 -33.69 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.5 t -63.05 -44.8 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.21 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 5' ' ' ILE . 91.4 t -72.71 -52.58 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -73.9 -27.49 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 52.65 58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 -172.75 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -66.19 102.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' CB ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.77 -24.62 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.09 -47.58 85.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 19.0 m -110.04 57.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.4 tt -135.89 135.49 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -153.59 172.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t -107.1 151.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -88.7 -57.03 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.51 160.81 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.59 171.41 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.14 131.62 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -76.54 140.36 41.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 17.3 mm -87.42 132.21 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -77.92 -47.0 19.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.71 -51.05 1.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.8 ptpt -139.01 -152.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.6 mt -98.66 40.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -96.19 172.77 7.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.471 ' CB ' HG11 ' A' ' 23' ' ' VAL . . . -158.51 121.22 3.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.8 143.68 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.226 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.19 161.88 31.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.468 ' CD2' ' C ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -116.25 131.9 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -104.13 129.0 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -116.38 142.84 46.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -135.84 135.8 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 4.4 p90 -113.45 166.99 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' ND2' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -73.29 -55.21 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.42 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.61 150.67 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.222 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.5 mt-10 -57.7 -20.7 35.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -60.42 -50.3 74.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.93 -52.91 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 ttp -50.42 -51.32 47.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -47.64 -28.95 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 m -96.7 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 81' ' ' GLU . 13.9 mt -44.15 -73.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 1.5 mp0 -47.31 172.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' VAL . 19.7 p -123.17 163.37 20.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -48.38 -26.74 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -65.14 -38.49 90.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 14.0 t -75.21 -65.6 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.26 -24.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -46.54 80.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.8 ptmt -62.78 -34.72 77.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.433 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 16.4 m-80 -79.09 59.66 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.8 152.89 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.73 -78.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.89 166.78 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -105.07 -179.39 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -88.97 -165.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 176.33 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.18 -64.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -171.73 164.36 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.59 -51.27 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.74 168.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.6 -61.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.45 168.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.289 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.472 0.177 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.05 93.08 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 4' ' ' SER . 10.3 mt -120.42 144.56 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -137.96 127.33 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.0 mm -80.18 130.23 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.7 mm -89.74 -58.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -145.44 164.56 31.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.25 99.36 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 154.66 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -132.94 131.97 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ARG . 44.0 m-80 -127.8 91.45 45.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.51 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.16 -14.48 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.5 40.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -129.0 160.72 31.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -130.79 126.52 36.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 15.6 mt-10 -117.45 117.86 30.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.42 123.0 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.66 136.99 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 8.7 p90 -159.69 -179.67 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.71 156.05 46.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG11 ' CD1' ' A' ' 55' ' ' LEU . 1.9 p -138.31 130.53 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.98 156.73 42.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.961 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.56 -172.86 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.12 84.9 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.32 154.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.96 99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -84.5 147.13 48.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 1.5 m -110.34 179.97 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -69.42 -55.67 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -62.17 -30.63 71.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 0.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.1 OUTLIER -77.35 -28.33 52.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 31' ' ' SER . 10.9 t -81.33 -55.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -51.29 -25.34 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -52.05 -49.97 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.7 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -53.8 -34.04 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 2.5 t -55.17 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 -43.11 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.53 -51.33 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -75.18 -31.95 61.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.2 t-20 56.57 50.66 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.71 -170.67 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.86 98.56 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.53 -23.6 58.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.84 -59.73 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.1 m -99.25 53.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 1.8 tt -135.8 135.25 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.4 t -153.48 175.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.8 t -106.36 150.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -55.77 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.86 160.87 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -134.69 170.95 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -161.95 122.07 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.85 145.75 55.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 23.1 mm -93.55 133.15 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' GLY . 56.2 t80 -76.04 -49.31 17.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -37.16 -61.0 1.02 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.2 ptpt -127.8 -153.03 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 0.713 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -99.93 44.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -98.86 172.21 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -155.48 118.07 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.2 tt0 -101.82 143.03 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.58 160.25 32.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -105.25 134.28 48.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.38 128.46 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.185 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -128.19 145.34 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 mt -136.76 143.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -101.27 178.45 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.99 -41.24 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.54 133.91 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.2 mt-10 -53.21 -19.76 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -56.54 -50.63 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -75.91 -53.05 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.48 ' SD ' ' CD2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -50.08 -44.46 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -54.18 -27.77 36.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.8 m -99.96 -65.68 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.2 mt -51.86 -81.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.497 ' OE1' ' CD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -37.75 148.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 p -99.19 162.68 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -53.65 -20.53 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -50.53 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 50.0 t -61.73 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.48 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 23.7 mt -74.41 -31.24 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -49.18 -43.33 42.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.52 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -84.05 50.99 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.55 163.89 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.02 -81.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 177.16 6.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.25 175.49 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 12.5 pt-20 -88.5 -160.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.092 . . . . 0.0 110.226 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . 167.28 67.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 97' ' ' ALA . 45.2 mt-10 -60.36 -66.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' GLU . . . 61.95 124.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -169.95 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.68 167.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.26 137.58 32.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 73.43 168.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.517 0.199 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.13 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.9 mt -132.29 146.7 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 127.09 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.2 mm -81.89 134.11 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mm -94.05 -61.83 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -135.7 158.53 44.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.27 98.8 4.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 158.76 17.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -130.43 135.52 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ARG . 37.0 m-80 -129.99 91.51 39.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.53 2.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.22 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.92 -9.16 54.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.06 47.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -125.99 169.49 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -123.96 142.43 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.79 91.33 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.3 mt -122.52 117.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.16 137.81 32.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.516 ' CZ ' ' CD1' ' A' ' 39' ' ' LEU . 18.9 p90 -154.16 -179.77 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -138.52 160.02 40.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 HG11 ' CB ' ' A' ' 64' ' ' ALA . 2.8 p -132.25 131.04 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.76 129.46 56.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -169.71 147.98 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -125.91 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.93 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.75 143.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -73.78 130.22 83.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.0 m -159.46 -178.28 7.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.44 -53.4 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.12 -39.38 89.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -64.8 -34.68 78.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.0 t -79.75 -45.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -52.56 -28.93 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -51.58 -54.47 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -51.07 24.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' CD1' ' CZ ' ' A' ' 21' ' ' PHE . 17.8 mt -51.46 -33.36 30.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.7 t -59.76 -42.92 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.85 64.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.35 -51.01 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.97 -33.11 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.6 t-20 56.31 64.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.69 -170.65 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.07 100.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' CB ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -62.67 -23.94 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.79 -53.73 54.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.4 m -105.65 58.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 2.1 tt -136.31 135.64 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.53 173.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 53' ' ' ASP . 1.6 t -109.44 148.27 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -77.78 -56.93 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.82 161.64 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.5 168.85 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.74 125.91 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.1 145.44 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 27.8 mm -96.35 132.05 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -79.26 -46.55 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.98 -49.18 2.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.4 ptpt -143.66 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.0 mt -98.6 50.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.8 OUTLIER -107.36 168.16 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' CB ' HG11 ' A' ' 23' ' ' VAL . . . -156.51 119.79 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.91 144.02 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.0 147.02 12.14 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -94.66 140.65 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.606 0.827 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 141.85 36.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -133.17 141.46 48.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' ARG . 36.3 mt -140.14 138.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 16' ' ' ARG . 2.6 t80 -113.73 -175.59 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -106.82 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 124.4 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 37.4 mt-10 -64.45 -19.52 65.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.14 -46.98 84.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -52.97 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -53.09 -45.68 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 111.053 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -50.09 -30.11 10.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.9 m -92.49 -61.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 79' ' ' THR . 6.0 mt -39.35 -67.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 3.1 mm-40 -81.96 -173.39 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 p -129.81 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.31 -21.01 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -55.8 -50.81 69.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -82.84 -46.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.448 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.45 -21.15 35.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -58.55 -52.6 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mppt? -49.02 -57.86 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -81.81 52.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 164.7 0.77 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.7 mm -92.88 -63.39 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.62 173.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -93.34 -174.06 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.01 -162.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' GLU . . . 178.55 94.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 95' ' ' ALA . 23.9 mt-10 -38.63 -64.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.45 123.8 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.544 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 13.2 tt0 -170.86 -58.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 98' ' ' GLU . 35.0 m 48.24 179.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -173.42 57.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 64.87 162.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 tpp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.473 0.178 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.07 138.38 11.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.441 HG13 ' CG2' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -112.35 148.57 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.405 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -135.8 128.63 31.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 136.69 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.39 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.16 164.57 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -133.92 92.64 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.97 16.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -143.04 119.96 11.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -119.92 91.81 45.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.577 1.83 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.9 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.33 -12.47 42.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 67.34 58.25 0.55 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -179.17 129.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.4 ttt180 -84.88 132.58 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -115.92 114.77 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.412 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 5.6 mt -121.91 144.14 32.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.609 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -108.05 140.74 40.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' A' ' 39' ' ' LEU . 6.5 p90 -156.4 -179.15 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.444 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -143.82 156.81 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' CG2' HG13 ' A' ' 3' ' ' ILE . 10.5 p -134.35 132.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.08 139.13 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 27' ' ' ALA . 11.8 p90 -177.09 -177.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -104.63 87.82 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.602 ' O ' ' CE1' ' A' ' 25' ' ' PHE . . . 48.28 -102.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . 38.78 74.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 102.81 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.86 162.07 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.46 -55.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -30.36 70.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.32 -33.63 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.208 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 31' ' ' SER . 25.2 t -77.6 -38.89 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -56.53 -29.73 62.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -59.73 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -48.98 56.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 21' ' ' PHE . 20.7 mt -51.53 -33.8 33.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.1 t -61.33 -44.16 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.67 62.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.11 -52.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.8 -27.59 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.2 t-20 50.96 65.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.49 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -66.53 109.39 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' CB ' HG21 ' A' ' 40' ' ' VAL . 9.1 ptmt -68.56 -21.56 64.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.94 -53.03 61.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 33.2 m -109.01 63.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 6.2 tt -136.25 135.33 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.489 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -153.81 173.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 t -108.31 150.66 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -57.26 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.77 157.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -134.3 168.83 18.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -162.06 133.76 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -74.41 138.83 43.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 28.5 mm -85.2 134.11 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -80.85 -36.73 31.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.77 -45.34 24.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -146.4 -150.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mt -98.86 37.77 1.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -95.1 171.86 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -155.29 122.08 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' CD ' ' NZ ' ' A' ' 20' ' ' LYS . 4.3 tt0 -101.73 143.49 31.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.28 167.01 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -120.38 138.19 53.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.26 131.25 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 144.76 49.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' ARG . 32.4 mt -137.4 134.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CE2' ' HB ' ' A' ' 49' ' ' VAL . 3.1 p90 -114.19 148.11 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -81.92 -42.26 19.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' CB ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -134.06 126.3 29.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -24.04 67.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.15 -45.0 71.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -52.8 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttp -54.44 -52.47 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.27 -30.63 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -90.47 -63.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.5 mt -45.47 -73.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 6.5 mp0 -51.87 179.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -124.1 -158.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -83.2 -24.57 32.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -38.96 81.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.485 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 14.8 t -75.22 -65.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.71 -24.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -56.46 -52.36 65.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -65.25 -33.55 76.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.7 m-20 -70.08 109.84 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -41.81 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.6 mm -41.73 -60.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.71 149.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -172.87 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 110.266 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 16.0 pt-20 -93.52 -157.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . 168.18 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.242 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -46.61 -66.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 61.29 151.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -168.1 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.9 m -49.72 111.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.12 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -166.66 172.89 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.227 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.539 0.209 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.31 108.14 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.41 143.46 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.49 128.04 42.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.6 mm -78.49 135.45 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mm -99.11 -57.89 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -144.95 160.54 41.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.12 94.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 158.15 16.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -126.3 130.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' ND2' ' HG3' ' A' ' 18' ' ' GLU . 2.0 m-80 -120.82 91.54 47.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.11 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.92 -15.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.64 30.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 19.1 mtm105 -115.04 179.11 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 126.02 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 27.4 mt-10 -104.64 101.74 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -124.89 121.4 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 146.34 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 37.2 p90 -158.65 -179.97 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.06 161.46 28.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.17 122.44 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -112.79 138.46 49.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -173.48 147.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.07 84.59 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.43 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -173.72 156.1 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.4 127.15 91.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -90.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -160.38 162.23 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 mt -60.2 -53.99 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 1.4 tttt -57.57 -49.57 75.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.33 -34.64 68.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.509 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 3.2 t -78.1 -33.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.37 -27.98 68.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.94 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -62.1 -36.87 83.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 21' ' ' PHE . 38.0 mt -55.34 -37.0 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ASN . 75.8 t -63.8 -42.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.27 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.6 t -76.56 -52.63 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.26 -37.65 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.9 t-20 70.16 56.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.27 -170.32 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -61.86 141.33 58.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' CB ' HG21 ' A' ' 40' ' ' VAL . 12.4 ptmt -102.64 -22.08 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.22 -51.17 48.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.218 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 m -99.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -136.16 134.53 38.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.77 174.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.24 156.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -57.28 2.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -163.58 162.32 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 171.96 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -157.4 126.16 5.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -90.18 128.55 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -71.95 134.81 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -84.26 -43.17 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.65 -54.88 4.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.0 -145.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.7 mt -116.0 43.31 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -106.03 172.08 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.38 136.25 9.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.1 tt0 -122.01 139.82 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.01 35.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 11.9 t80 -119.35 138.78 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 67' ' ' TYR . . . -103.67 158.42 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' NZ ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -139.82 150.21 44.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -142.7 136.14 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.582 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -109.39 -177.19 3.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -108.29 -42.55 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.97 124.4 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.64 -19.87 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 2.6 mmpt? -58.77 -43.59 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.35 -51.78 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.569 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 6.5 ttp -54.74 -49.56 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.32 -50.74 21.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -73.65 -61.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.46 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 mt -40.16 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.22 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 2.6 mm-40 -84.88 -174.44 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -130.55 -169.76 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -61.64 -19.72 62.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -50.93 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -78.92 -42.71 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -64.51 -19.66 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -62.72 -53.14 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -62.52 -33.41 74.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.446 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 15.8 m-20 -82.22 102.23 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -66.38 160.11 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mm -121.59 -84.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -177.92 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -126.83 177.18 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.35 -162.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 171.17 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -41.43 -62.93 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -168.35 158.89 10.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -168.03 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.86 134.2 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -172.73 169.85 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -138.3 163.34 32.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' CB ' ' HE3' ' A' ' 38' ' ' LYS . 22.3 tpp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.522 0.201 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.61 111.15 22.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -121.43 146.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -139.58 128.83 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.065 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.9 mm -76.67 141.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.4 mm -105.6 -57.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -139.96 162.8 34.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 9.3 p-10 -134.04 87.37 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.98 154.73 17.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.31 132.49 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ARG . 5.4 m-80 -122.27 91.43 49.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.43 -69.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -71.14 -18.63 62.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 80.81 33.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' ASN . 31.2 mtm180 -126.22 166.05 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.12 126.19 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.45 106.69 16.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.18 132.99 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.636 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.75 142.26 44.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.188 . . . . 0.0 109.369 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.687 ' CE1' ' CD2' ' A' ' 39' ' ' LEU . 3.0 p90 -156.6 -179.62 8.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -125.26 159.08 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' N ' HG23 ' A' ' 22' ' ' THR . 7.5 p -146.34 132.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -133.65 150.49 51.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -160.72 166.22 29.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -118.27 103.34 9.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.36 155.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 72.81 100.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -96.8 115.65 65.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 4.8 m -127.72 177.76 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 HG23 ' CG1' ' A' ' 52' ' ' VAL . 2.0 mt -65.46 -52.82 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.4 OUTLIER -73.85 -27.64 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 31' ' ' SER . 3.5 t -78.94 -38.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.395 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.03 -27.32 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -52.4 -56.2 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HE3' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -70.39 -50.73 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.687 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 16.5 mt -51.35 -34.79 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.6 t -59.58 -43.16 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.25 64.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -67.47 -52.52 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -74.15 -33.0 63.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.2 t-20 57.13 63.24 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.38 -175.3 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.39 103.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.95 -25.45 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -58.88 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.0 m -91.82 52.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -133.42 135.53 44.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.48 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -153.41 175.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -105.53 146.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -170.81 161.52 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.26 172.43 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.23 123.87 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.9 145.08 48.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 21.3 mm -93.24 131.67 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -76.16 -48.59 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.3 -59.73 1.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.8 ptpt -128.49 -154.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.5 mt -98.43 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -96.84 170.41 9.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -158.23 116.58 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.3 tt0 -101.99 142.3 33.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.79 172.32 35.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.636 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.2 t80 -118.22 129.72 55.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' ' CE2' ' A' ' 21' ' ' PHE . . . -103.94 128.55 51.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.648 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -117.03 150.37 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.1 mt -123.79 136.36 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.648 ' CE2' ' NZ ' ' A' ' 69' ' ' LYS . 45.8 m-85 -95.99 174.09 7.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.72 -44.09 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.52 125.71 7.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.23 -19.66 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -49.91 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -72.55 -53.1 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 1.2 ttp -49.99 -45.11 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.32 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -99.85 -65.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.3 mt -40.42 -71.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -57.95 175.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -129.01 168.12 16.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.41 -23.55 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -48.01 80.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.92 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.413 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 95.7 t -71.09 -46.2 68.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -63.57 -53.71 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -67.74 -32.8 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 33.4 t30 -70.15 104.34 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.222 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.57 163.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -41.1 -72.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 14.4 tp10 65.35 -90.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 1.7 pt-20 -88.15 -174.18 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 16.4 pt-20 -90.4 -159.84 0.65 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.158 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . 165.23 96.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -39.06 -62.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.239 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.18 131.35 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.546 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -55.29 -56.21 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 98' ' ' GLU . 34.9 m 48.2 -179.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -172.72 179.59 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -128.35 163.02 25.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.479 0.18 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.71 141.46 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.434 ' CG1' ' HB ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -119.29 148.85 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.63 130.65 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mm -79.7 134.88 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.19 -61.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -135.15 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.42 97.7 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 150.73 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -134.05 125.09 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.76 91.58 26.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.48 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.5 -59.95 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 mt -92.39 25.03 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 38.06 49.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -130.97 172.92 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -138.58 124.8 20.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.17 114.48 24.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.42 1.075 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.38 122.09 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.518 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 1.5 tppt? -91.32 134.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CE1' HD22 ' A' ' 39' ' ' LEU . 15.0 p90 -146.72 -179.64 6.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 111.035 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -139.84 166.05 25.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.447 ' N ' ' CG2' ' A' ' 22' ' ' THR . 10.6 p -143.05 133.93 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.0 132.28 56.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' C ' ' A' ' 27' ' ' ALA . 1.8 p90 -177.15 155.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.39 82.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' C ' ' CE2' ' A' ' 25' ' ' PHE . . . 176.17 -155.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.14 138.82 50.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -56.66 143.63 67.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 14.0 m -147.22 178.15 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 HG22 ' CG1' ' A' ' 52' ' ' VAL . 1.8 mt -67.36 -53.99 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.07 -44.47 91.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -32.4 69.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG1' ' CD1' ' A' ' 39' ' ' LEU . 69.1 t -78.75 -39.82 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.21 -27.14 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -64.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.8 -35.66 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.526 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 17.5 mt -62.78 -31.06 71.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.2 t -64.35 -40.3 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.85 -51.3 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.4 mt -72.47 -35.3 68.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.97 74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -156.71 -170.5 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -70.3 109.21 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -67.1 -24.3 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.19 -53.95 52.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.53 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 36' ' ' LYS . 3.3 tt -136.13 140.62 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -155.12 170.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.85 142.55 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -57.25 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -174.14 167.47 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -143.16 169.97 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.91 118.36 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -78.52 123.58 27.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 1.4 mt -63.85 135.47 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.32 -48.55 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.68 -63.19 0.88 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.567 1.167 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -115.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 0.729 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.9 mt -112.63 45.15 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -102.25 173.92 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' N ' ' OE1' ' A' ' 63' ' ' GLU . . . -157.69 134.6 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.14 141.93 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.56 167.03 35.61 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.518 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -115.87 131.61 56.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.966 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.41 126.09 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.05 147.13 45.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.9 mt -129.72 133.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 80.9 m-85 -89.1 -178.56 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.48 -46.01 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.4 129.77 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.7 OUTLIER -49.85 -22.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.35 74.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -51.42 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 9.4 ttp -52.23 -46.61 65.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -47.06 -30.57 2.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.7 m -100.04 -58.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 81' ' ' GLU . 5.2 mt -39.76 -66.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 2.7 mm-40 -84.59 -175.06 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.4 p -133.59 -179.16 5.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.445 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -25.88 15.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -50.81 69.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 81' ' ' GLU . 2.4 t -78.39 -50.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD13 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -53.14 -26.23 16.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -43.62 76.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -52.14 -68.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 33' ' ' LYS . 8.6 t30 -76.45 112.54 13.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -44.31 164.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' GLU . 2.9 mp -40.58 -88.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER 59.74 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -113.49 177.46 4.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 12.9 pt-20 -86.35 -160.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . 168.28 66.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.54 -65.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -170.45 166.98 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 99' ' ' VAL . 8.9 tt0 -168.19 -60.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.537 ' O ' ' O ' ' A' ' 98' ' ' GLU . 10.7 m 44.86 102.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.74 -61.66 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 61.48 166.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.497 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.21 136.97 48.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 4' ' ' SER . 4.0 mt -127.43 147.59 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.404 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -130.18 126.78 38.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.6 mm -81.26 137.14 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.5 mm -96.64 -61.71 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.7 p -145.09 168.68 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -134.45 108.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 158.2 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -127.18 142.12 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' ARG . 30.1 m-80 -135.66 91.4 18.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.01 -33.85 4.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.9 mp -40.22 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -6.23 53.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 70.01 49.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -122.61 168.04 12.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.13 115.19 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -110.79 117.22 32.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mt -124.32 125.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -90.45 135.67 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 39' ' ' LEU . 11.8 p90 -150.26 -179.67 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.66 156.7 48.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 64' ' ' ALA . 4.1 p -135.26 128.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -115.84 141.88 47.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -176.47 146.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.35 94.84 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.14 -81.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.35 156.09 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.81 115.29 50.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -161.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.96 173.88 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 HG23 ' CG1' ' A' ' 52' ' ' VAL . 1.4 mt -71.61 -55.12 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -30.63 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.77 -30.11 40.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.23 -47.39 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -50.43 -28.05 7.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -57.41 9.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -49.88 59.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 21' ' ' PHE . 18.9 mt -51.52 -35.93 42.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.6 t -60.84 -44.67 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.51 62.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.15 -52.87 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.09 -35.1 61.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.2 t-20 66.42 50.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.44 -174.98 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.84 125.3 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -85.89 -14.15 45.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.59 -46.08 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.0 m -109.89 52.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.6 tt -136.23 135.02 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.19 164.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -99.54 144.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' OD1' ' NZ ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.81 -52.28 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.72 146.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 65' ' ' GLU . 3.8 tp -114.56 168.95 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.37 109.01 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -79.99 120.0 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.3 mt -66.01 128.68 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -76.55 -33.66 58.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.145 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.6 -43.79 53.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.9 ptpt -135.62 -145.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -116.9 43.7 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -104.56 167.1 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . -146.9 132.53 18.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' C ' HD12 ' A' ' 55' ' ' LEU . 5.7 tt0 -128.62 131.14 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' HA3' ' CD1' ' A' ' 55' ' ' LEU . . . -158.75 173.2 35.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -109.04 135.03 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 21' ' ' PHE . . . -108.24 124.35 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HE3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.67 150.18 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 50' ' ' LEU . 15.8 mt -134.25 132.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 18.1 m-85 -88.04 171.62 10.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -101.75 -33.61 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -160.65 143.95 13.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.23 -34.28 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -44.64 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.23 -52.43 12.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.614 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttp -54.34 -47.37 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.24 -43.14 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.6 m -82.57 -64.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.063 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.428 ' CG2' ' NH2' ' A' ' 16' ' ' ARG . 6.4 mt -40.04 -60.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 2.3 mm-40 -92.13 -179.34 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 p -130.64 -157.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.18 -14.52 63.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -50.86 71.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.609 1.193 . . . . 0.0 109.993 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.1 t -82.37 -45.52 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -58.14 -22.62 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -57.16 -47.88 80.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.249 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 11.0 mtpt -52.02 -68.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' LYS . 48.8 t-20 -48.78 103.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ASN . 3.3 mtpt -40.2 147.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.3 mm -126.48 -81.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 8.3 tp10 -88.99 -91.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 1.7 pt-20 -94.0 -175.4 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.08 -164.34 1.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 173.43 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -39.33 -65.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -172.72 126.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -43.94 -70.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.3 m -126.17 132.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.5 -69.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -170.93 168.72 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HE1' ' NZ ' ' A' ' 38' ' ' LYS . 1.1 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.492 0.187 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.88 93.36 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 mt -117.48 131.52 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.2 126.24 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.2 mm -77.92 132.4 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mm -95.39 -56.4 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 109.233 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 p -138.68 159.73 41.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -134.05 91.51 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.43 149.1 26.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -124.34 137.96 54.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 18' ' ' GLU . 26.3 m-80 -127.35 91.37 46.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.42 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.51 -19.2 65.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 23.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -117.86 171.52 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.5 tpt180 -116.27 142.54 46.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 5.8 mt-10 -129.87 93.3 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -124.75 130.38 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.98 144.59 35.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -160.96 -179.74 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.86 153.58 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 55' ' ' LEU . 2.2 p -137.8 131.32 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.07 148.61 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -154.01 -172.9 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 28' ' ' ALA . 4.7 m-20 -122.32 89.17 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 70.63 -60.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.51 109.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -103.29 106.66 52.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m -132.58 -167.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -72.27 -57.33 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.54 -44.33 87.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.0 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 39' ' ' LEU . 3.7 t -78.6 -42.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' CD ' ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.25 -32.26 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -53.63 36.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.12 -47.21 59.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 35' ' ' VAL . 62.4 mt -51.01 -41.08 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 47' ' ' LYS . 7.5 t -55.37 -42.53 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.19 62.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.96 -52.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 70' ' ' ILE . 21.4 mt -75.14 -41.21 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.8 t-20 73.4 51.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.39 -169.4 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -75.19 116.48 15.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.51 -26.25 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.76 -38.62 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 4.0 m -122.41 62.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 2.8 tt -136.05 134.43 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.4 t -153.23 172.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.29 153.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -83.14 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -176.95 159.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -133.69 170.5 15.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.38 124.59 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -70.51 139.86 51.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 26.2 mm -89.16 132.87 32.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLY . 34.6 t80 -76.24 -49.41 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -36.67 -54.19 1.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.6 ptpt -134.78 -151.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.9 mt -101.59 40.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.434 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -95.46 174.01 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.81 119.36 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -101.95 142.68 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.24 173.5 37.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.5 t80 -120.75 151.96 38.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.06 151.14 40.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.11 150.4 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 43' ' ' LEU . 30.5 mt -139.77 133.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.8 p90 -115.19 150.81 35.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -79.64 -36.5 37.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.17 144.22 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.88 -30.81 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -41.76 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.18 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.605 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.2 ttp -54.63 -50.71 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -46.69 -44.14 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 m -76.39 -54.26 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.6 mt -41.06 -70.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.478 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 2.2 mm-40 -86.58 175.38 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -105.63 -167.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.86 -27.12 66.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -56.3 -47.61 78.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.537 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 3.5 t -79.93 -53.03 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 11.3 mt -55.27 -21.01 12.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -59.97 -53.79 53.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.2 ptmt -52.43 -34.42 48.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 -104.67 35.65 2.69 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -42.54 163.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -47.23 -81.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.18 159.42 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -131.51 178.55 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -149.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.92 89.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -38.74 -61.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.84 125.24 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.547 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 16.0 tt0 -167.76 -57.17 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.566 1.166 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 98' ' ' GLU . 35.5 m 48.16 -179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 179.13 176.61 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.47 170.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.48 0.181 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 94.82 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 4' ' ' SER . 3.0 mt -122.0 145.16 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -141.49 131.88 25.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mm -81.42 133.99 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -96.98 -58.39 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -143.19 164.43 30.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -134.42 97.82 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.3 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -116.64 126.67 53.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.43 91.63 49.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.86 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -50.16 -61.62 2.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.63 -16.31 62.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 59.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -177.88 142.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.8 ttt180 -108.56 141.16 40.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.574 1.172 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -126.05 121.7 33.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 mt -122.55 123.5 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -88.8 134.94 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 5.1 p90 -155.81 -179.43 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.45 156.83 44.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.424 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -142.23 129.56 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -131.1 156.72 44.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -154.79 -176.51 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.9 m-20 -101.43 80.57 2.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' ASP . . . 59.29 155.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.47 136.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -113.21 141.99 26.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -90.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 1.5 m 179.94 -179.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.16 -57.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -58.46 -35.03 71.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.77 -27.58 60.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 31' ' ' SER . 3.0 t -81.43 -55.33 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.208 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -50.05 -25.49 3.46 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -52.27 -52.7 51.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -51.28 42.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD23 ' CZ ' ' A' ' 21' ' ' PHE . 1.3 mt -51.98 -37.28 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG2' HD22 ' A' ' 50' ' ' LEU . 2.2 t -55.39 -39.33 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.93 58.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.61 -51.51 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.52 -31.7 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' VAL . 15.5 t-20 55.02 55.58 7.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.5 -170.49 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -73.7 98.84 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -22.94 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.56 -64.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.7 m -97.08 55.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.501 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 3.4 tt -134.82 134.41 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.501 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -154.56 176.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t -109.29 150.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.06 161.89 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 HD13 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -140.08 169.47 17.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.17 115.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -78.06 122.76 26.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.4 mt -63.61 142.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -87.3 -47.21 9.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.41 -56.38 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.5 ptpt -122.76 -153.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -107.19 44.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -102.15 171.51 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 23' ' ' VAL . . . -159.31 135.82 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -124.43 141.52 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.12 161.26 31.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -106.02 132.87 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 0.824 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.63 124.55 49.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' NZ ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -124.25 148.82 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 50' ' ' LEU . 49.8 mt -138.73 140.02 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -100.02 141.01 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.81 -37.69 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.91 134.67 5.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.3 mp0 -58.37 -19.29 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.12 -44.27 83.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -80.97 -53.94 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -50.7 -44.35 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -51.8 -31.55 27.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -99.97 -66.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 29.7 mt -46.67 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -45.38 153.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 p -109.09 169.51 8.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -52.44 -23.98 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 39.5 t -74.04 -51.65 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' N ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.84 -23.33 66.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 1.067 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.64 -49.75 74.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -49.31 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.451 ' HB3' ' CG1' ' A' ' 51' ' ' VAL . 8.8 p-10 -79.46 67.75 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.9 OUTLIER -71.09 152.21 43.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.3 mt -40.48 -79.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.81 -175.32 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -117.23 176.15 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.82 -166.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 171.68 65.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -60.68 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 62.73 124.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -169.15 -71.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.78 166.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.18 109.99 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -40.51 154.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.225 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.577 0.227 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -135.69 128.22 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.41 ' CG1' ' HB ' ' A' ' 23' ' ' VAL . 1.3 mt -115.32 144.97 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.14 125.29 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.0 mm -82.11 133.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 mm -98.24 -58.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.87 162.95 33.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.19 100.94 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 159.21 17.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -133.91 132.45 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.4 m-80 -124.06 91.51 49.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.531 1.806 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.9 -63.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -92.02 25.5 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.51 33.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 16.9 mtm-85 -107.41 168.95 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.9 123.52 37.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.18 125.7 71.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -117.56 139.04 51.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CD2' ' A' ' 39' ' ' LEU . 3.1 p90 -159.95 179.89 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.31 157.3 37.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 ' HB ' ' CG1' ' A' ' 3' ' ' ILE . 2.1 p -126.7 123.66 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -105.48 138.18 42.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -170.95 145.72 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -128.96 99.57 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 170.73 -93.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.92 156.95 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -80.24 123.23 83.31 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -118.61 -170.49 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -72.08 -57.2 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -54.56 -51.54 64.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -34.93 59.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 2.7 t -78.24 -36.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.83 -20.99 61.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.445 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -63.1 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.568 ' CD2' ' CZ ' ' A' ' 21' ' ' PHE . 22.7 mt -58.84 -40.37 84.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' ASN . 3.8 t -56.38 -43.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.99 63.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.94 -52.66 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.8 mt -74.65 -40.64 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' VAL . 8.9 t-20 74.13 45.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.71 -170.73 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.42 ' ND2' HG23 ' A' ' 49' ' ' VAL . 14.6 t-20 -65.29 148.77 51.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -31.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -61.4 -13.8 22.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG23 ' ND2' ' A' ' 46' ' ' ASN . 31.2 m -138.31 47.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 3.7 tt -136.37 134.05 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.5 t -153.64 173.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -107.75 151.09 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.27 -56.6 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -165.99 166.55 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.355 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -147.41 170.83 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -155.86 120.5 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -69.1 144.57 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.5 mm -90.72 130.82 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.91 -25.76 34.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.52 -49.89 69.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -140.74 -151.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.84 44.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.376 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 169.21 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.88 120.67 4.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.2 tt0 -101.72 138.57 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.37 168.52 35.31 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 8.9 t80 -117.11 141.98 47.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' TYR . . . -107.19 165.3 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 148.39 32.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 50' ' ' LEU . 86.9 mt -144.45 143.13 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 16' ' ' ARG . 2.1 t80 -121.39 -175.66 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.063 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.98 -55.81 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 130.47 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.39 -19.38 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -58.63 -50.37 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.6 -51.85 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.478 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 1.4 ttp -52.34 -47.37 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.77 -29.21 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.8 m -89.91 -65.28 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.6 mt -47.27 -75.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -43.76 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -120.9 176.88 5.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -60.16 -15.73 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -44.96 36.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 74.1 t -73.41 -54.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -25.9 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.77 -49.94 69.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.24 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -49.33 -64.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -66.93 107.99 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -47.01 148.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.71 -86.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.74 -171.77 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.42 -178.89 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 13.8 pt-20 -84.17 -160.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . 165.69 96.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -44.62 -64.06 0.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -170.35 125.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.07 -55.76 16.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.46 141.54 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.79 131.59 44.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -111.66 169.19 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' A' ' 25' ' ' PHE . 21.7 tpp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.575 0.226 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.75 125.37 7.64 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.463 ' CG1' ' HB ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -107.02 142.85 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.85 126.2 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -78.39 134.76 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.1 mm -98.25 -57.12 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -140.22 168.92 18.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -134.23 101.71 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.94 138.65 43.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.093 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -126.32 125.94 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -124.3 91.75 49.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.38 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -47.21 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.66 -14.24 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.92 50.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -160.43 145.92 14.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -105.11 135.66 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -121.9 115.76 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -125.42 136.51 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' CG ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.08 142.3 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CE2' HD21 ' A' ' 39' ' ' LEU . 42.0 p90 -157.1 -179.85 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.34 142.09 50.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.572 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 3.4 p -125.07 129.08 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -95.29 139.07 32.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 75.4 m-85 -129.09 166.02 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 4.5 m-20 -157.89 68.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 26' ' ' ASP . . . 160.87 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.87 156.23 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 135.53 47.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 64.2 m -159.98 -176.92 5.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.073 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.39 -55.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -60.57 -41.66 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' MET . 1.1 t70 -57.46 -35.28 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 31' ' ' SER . 97.3 t -80.09 -51.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.31 -26.79 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 1.2 mtm -51.47 -57.34 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -50.32 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 21' ' ' PHE . 9.4 mt -50.04 -36.23 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 2.9 t -58.64 -42.67 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.04 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.51 -51.73 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.71 -33.1 68.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 71.07 63.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.98 -169.89 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -83.33 -172.1 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 49' ' ' VAL . 14.4 ptmt -112.44 -133.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 mt-30 34.72 -95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 6.3 m -40.15 -29.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 1.1 tt -83.28 134.73 34.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -154.88 175.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.3 t -104.52 143.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -73.92 -56.94 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.22 160.82 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 168.59 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.44 120.58 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.94 140.7 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mm -88.82 134.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.8 -45.95 17.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.4 -48.85 2.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.7 ptpt -144.35 -156.37 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.8 mt -93.74 39.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.28 165.01 12.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.55 132.87 13.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.03 139.71 49.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.28 166.68 33.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.61 ' CD2' ' CG ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -119.44 138.69 52.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 0.822 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.98 145.05 49.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.2 mt -134.91 136.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.196 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.588 ' CE2' ' HB2' ' A' ' 77' ' ' MET . 0.7 OUTLIER -113.64 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -112.57 -53.15 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 122.97 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 12.4 mt-10 -59.1 -19.38 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -58.76 -43.56 90.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.06 -52.84 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.588 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttt -54.58 -49.45 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -51.62 -29.48 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 m -91.54 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 81' ' ' GLU . 10.0 mt -46.28 -69.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 2.9 mp0 -57.97 165.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 p -116.57 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -50.1 -26.8 4.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -44.59 82.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.046 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 81' ' ' GLU . 47.7 t -79.92 -56.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' N ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -52.81 -22.35 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.85 -50.98 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 7.9 mtpt -49.55 -67.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.41 110.6 6.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.55 148.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.198 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.62 -90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.57 172.78 14.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.295 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -96.74 -174.82 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -86.9 -165.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -178.44 92.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -39.0 -63.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.25 125.13 44.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -168.46 -72.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.3 m -123.53 168.58 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.46 147.2 29.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -164.18 161.68 22.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 tpp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.453 0.168 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.67 119.25 24.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mt -116.26 140.13 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.417 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.83 125.09 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 mm -85.42 129.4 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -94.49 -60.54 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -137.01 158.66 43.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -132.39 87.76 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.12 157.19 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -127.6 138.04 52.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.2 m-80 -116.72 91.82 36.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -45.56 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.56 -14.07 61.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.25 25.37 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.526 ' NH1' ' CB ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -108.54 178.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.04 129.48 50.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' OE1' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 mt-10 -112.11 102.33 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mt -125.15 134.64 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -119.82 135.3 54.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.483 ' CZ ' ' CD2' ' A' ' 39' ' ' LEU . 6.1 p90 -159.74 179.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.75 156.43 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -132.11 129.5 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.53 140.92 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -141.17 179.85 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 3.6 m-20 -99.72 79.12 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 59.73 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ALA . . . 61.91 128.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 t -94.22 147.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.42 1.747 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 1.6 m 177.8 -179.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -71.99 -57.49 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -58.55 -29.53 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.34 -29.84 34.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 31' ' ' SER . 3.4 t -78.69 -38.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.4 -21.45 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -61.67 -64.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.65 -31.88 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.483 ' CD2' ' CZ ' ' A' ' 21' ' ' PHE . 35.5 mt -59.82 -30.65 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 72.5 t -54.75 -37.44 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.33 26.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.03 -51.66 69.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 70' ' ' ILE . 15.4 mt -72.27 -38.56 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 67.33 54.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.52 -170.33 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -70.48 135.07 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -19.25 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 4.9 mt-30 -98.41 173.39 6.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.573 ' HA ' ' CE1' ' A' ' 71' ' ' TYR . 9.9 m 49.01 25.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -129.63 134.61 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.48 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.6 t -153.53 173.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.8 t -100.45 151.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -86.69 -55.52 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -168.41 159.49 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.414 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.71 169.19 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.05 129.1 3.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.49 146.72 50.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LYS . 34.6 mm -98.69 132.05 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -77.88 -42.29 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.68 -50.74 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' ILE . 4.8 ptpt -142.99 -153.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt -97.59 49.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 167.07 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.23 120.16 4.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.84 141.24 35.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 54' ' ' THR . . . -159.5 157.71 28.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.56 ' CD2' ' HE3' ' A' ' 20' ' ' LYS . 1.2 t80 -103.56 146.52 28.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . . . -117.35 151.65 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.47 143.84 44.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 43' ' ' LEU . 30.7 mt -137.76 132.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 49' ' ' VAL . 1.4 p90 -115.04 170.29 8.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -85.09 -37.04 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.73 151.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.3 -19.4 62.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -56.09 -42.16 76.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.412 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . . . -77.11 -52.97 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.69 -46.27 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.73 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -95.36 -56.42 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.41 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -40.23 -71.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -93.17 178.83 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 p -121.41 -160.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -62.89 -15.0 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -51.09 70.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 9.0 t -82.57 -41.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -63.26 -18.53 63.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -62.6 -53.56 52.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.0 ptmt -53.97 -34.31 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.444 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.0 t-20 -94.34 167.9 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -39.71 151.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.77 -80.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.3 147.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -113.44 176.61 4.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 11.6 pt-20 -93.88 -155.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.45 80.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.72 -64.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.94 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -168.28 -72.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.27 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.5 m -133.43 115.81 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 176.52 178.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -129.93 170.48 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.424 0.154 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.75 133.52 55.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.5 mt -134.17 141.61 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.99 127.78 39.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 mm -74.28 140.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -104.66 -56.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -141.89 160.06 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -134.31 92.54 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 153.81 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -129.82 121.75 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 16' ' ' ARG . 4.4 p30 -123.1 91.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.03 -32.12 5.6 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.8 mp -40.03 -60.73 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 23.1 mt -79.35 -19.69 49.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 83.6 27.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.489 ' NH2' ' N ' ' A' ' 77' ' ' MET . 4.6 mmt-85 -122.68 170.01 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.2 122.96 38.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.81 107.8 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -125.06 131.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -104.06 145.36 30.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CE1' ' HB1' ' A' ' 68' ' ' ALA . 31.1 p90 -155.81 -179.97 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.85 159.64 37.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 64' ' ' ALA . 2.5 p -134.89 130.64 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.35 134.33 55.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.2 p90 -171.5 148.64 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.5 89.63 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 175.19 -80.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -169.93 156.39 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -81.72 138.47 47.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 4.1 m -170.62 177.96 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.62 -57.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.363 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -35.81 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 31' ' ' SER . 4.0 t -79.14 -35.73 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -67.22 -24.13 65.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 mmm -57.12 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.76 -36.75 81.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.506 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 46.7 mt -64.08 -31.24 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -59.8 -45.81 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.67 65.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.2 t -67.5 -52.58 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 70' ' ' ILE . 60.1 mt -73.68 -35.95 65.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.4 t-20 59.11 71.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.49 -173.71 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -59.5 118.58 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' CB ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -78.72 -26.62 44.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.2 -60.06 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.11 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -134.88 134.99 41.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.492 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.1 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -111.42 143.56 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -76.13 -57.18 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.15 162.03 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -142.68 168.35 19.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -162.37 122.64 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.37 126.92 34.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.27 128.82 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -80.8 -29.94 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.94 -55.65 24.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.616 1.198 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.96 -145.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -113.2 42.09 1.99 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.04 173.37 6.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -159.4 136.77 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.4 tt0 -124.59 140.84 52.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 55' ' ' LEU . . . -161.76 164.62 35.33 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.571 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -111.97 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 21' ' ' PHE . . . -105.03 126.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.571 ' HE2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -118.82 138.91 52.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CD1' HD12 ' A' ' 43' ' ' LEU . 46.3 mt -118.58 132.1 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 77' ' ' MET . 64.0 m-85 -90.73 -177.41 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 4.2 m-20 -133.77 -46.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -144.08 128.04 17.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.46 -29.01 67.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.55 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -71.33 -52.41 18.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 71' ' ' TYR . 1.2 ttp -52.14 -46.24 65.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.36 -32.9 5.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -99.4 -65.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ALA . 9.5 mt -41.51 -70.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' HG2' ' CG1' ' A' ' 85' ' ' VAL . 1.2 mp0 -56.22 167.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -120.17 171.97 8.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -55.96 -18.74 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -41.34 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.483 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 3.6 t -76.29 -61.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -50.86 -22.78 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.8 -53.38 58.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 2.1 ptmt -56.56 -34.17 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.2 t-20 -93.04 31.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.8 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.75 -94.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.91 162.46 36.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -133.83 177.41 7.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 16.6 pt-20 -85.01 -155.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.76 90.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 23.0 mt-10 -38.79 -62.06 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.36 124.91 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -169.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.5 m -48.21 149.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.98 76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -157.07 167.23 31.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.518 0.199 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.97 103.9 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 39' ' ' LEU . 5.4 mt -110.89 147.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.56 127.15 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.3 mm -81.63 133.44 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mm -96.64 -56.9 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -145.75 166.28 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.25 98.83 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.84 155.55 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -131.88 131.12 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' HG3' ' A' ' 18' ' ' GLU . 46.4 m-80 -122.35 91.35 49.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.65 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -41.62 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.84 -13.96 60.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 69.91 53.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -140.16 167.18 22.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.03 127.96 55.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 63.6 mt-10 -116.12 101.21 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.77 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -120.24 139.19 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 68' ' ' ALA . 2.1 p90 -158.17 -179.89 8.53 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.6 1.187 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.02 155.82 29.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 p -133.12 128.25 55.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.32 144.63 51.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.522 ' CZ ' ' OG1' ' A' ' 29' ' ' THR . 8.7 p90 -149.41 -173.82 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -109.03 80.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 70.61 -60.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.77 112.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.522 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.72 101.1 52.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 8.0 m -115.33 -171.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -71.98 -57.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.3 -35.79 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -36.73 77.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 31' ' ' SER . 39.5 t -77.91 -32.81 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -33.31 53.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.27 33.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.01 -44.48 69.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.267 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 21' ' ' PHE . 95.2 mt -55.3 -37.41 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 47' ' ' LYS . 3.1 t -56.32 -41.83 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.25 -39.46 63.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.87 -48.38 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.0 mt -75.37 -44.43 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.6 t-20 67.91 76.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.07 -170.55 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.65 121.51 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' CB ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -82.64 -27.33 31.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.1 -39.58 82.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.7 56.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 2.5 tt -136.16 134.58 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.67 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.477 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.1 t -112.01 154.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -55.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -166.68 161.61 15.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.92 169.12 18.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.33 120.67 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -84.89 130.37 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.24 137.15 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.27 -42.92 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.19 -66.51 1.04 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.4 ptpt -110.43 -144.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -117.14 43.77 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.86 169.82 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.1 133.85 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.96 141.01 48.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.86 161.4 31.86 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -114.53 133.43 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.56 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . . . -104.91 137.64 42.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' NZ ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -132.0 145.39 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 71' ' ' TYR . 24.3 mt -131.6 137.25 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.552 ' CE1' ' NZ ' ' A' ' 69' ' ' LYS . 9.7 m-85 -95.0 -177.12 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -107.91 -56.12 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.94 125.07 14.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 5.8 mp0 -50.83 -21.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -50.55 71.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -76.17 -53.03 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.565 ' O ' ' CG ' ' A' ' 81' ' ' GLU . 2.2 ttt -50.06 -53.44 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -46.42 -26.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -99.88 -67.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 76' ' ' ALA . 77.6 mt -47.73 -61.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 77' ' ' MET . 0.4 OUTLIER -46.81 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.445 ' C ' ' OE2' ' A' ' 81' ' ' GLU . 36.3 p -134.44 166.54 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -57.05 -17.57 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.8 -39.86 42.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.404 ' HB ' ' OE1' ' A' ' 81' ' ' GLU . 6.4 t -69.94 -67.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -48.65 -27.41 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.12 -46.7 68.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ASN . 2.0 mppt? -50.05 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' LYS . 38.8 t-20 -40.18 109.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ASN . 3.7 mtpt -40.39 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -40.88 -84.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.48 149.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -104.37 179.7 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -90.24 -162.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 170.6 68.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.247 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.64 -64.81 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -169.71 166.51 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -40.28 -52.25 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.2 m -112.26 160.44 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.19 177.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -153.83 161.65 41.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 tpp . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.484 0.183 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.44 129.6 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.442 HD13 ' CE1' ' A' ' 21' ' ' PHE . 2.0 mt -109.86 141.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 128.13 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.0 mm -76.38 136.88 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -97.07 -59.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -139.45 170.4 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -133.96 89.93 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.28 142.62 39.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -127.64 144.36 51.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.21 91.51 41.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.16 3.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -53.02 -59.85 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' ' CD1' ' A' ' 80' ' ' ILE . 33.7 mt -73.78 -11.14 60.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.54 63.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -177.78 142.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 6.2 ttt180 -98.63 128.11 44.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -99.52 93.46 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 1.9 mm -96.0 144.19 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -124.44 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 9.3 p90 -161.29 -179.08 7.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -136.47 162.95 31.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 ' N ' ' CG2' ' A' ' 22' ' ' THR . 11.4 p -142.47 134.52 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.6 145.95 38.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -169.07 164.15 11.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.49 96.91 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 75.77 -59.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.07 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -91.96 112.49 55.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 73.8 m -154.21 -179.01 7.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -59.57 -56.93 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.87 -52.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -30.69 62.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 31' ' ' SER . 6.9 t -79.07 -54.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -55.76 -24.8 37.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.7 -33.26 66.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 21' ' ' PHE . 13.3 mt -65.0 -30.94 71.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.0 OUTLIER -55.24 -46.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -39.38 63.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 38' ' ' LYS . 39.3 t -59.97 -52.6 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.69 -24.82 44.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.213 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 45.3 57.23 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 -172.23 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -62.69 115.69 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.449 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 2.5 ptmt -79.44 -13.55 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -72.67 -42.16 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 m -115.23 50.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.494 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -135.4 134.6 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.76 175.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.98 142.0 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -57.07 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -177.28 165.28 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -133.52 169.07 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.44 122.31 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -63.94 147.03 52.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.9 mm -93.34 134.16 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.87 -33.43 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.41 34.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.153 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.0 ptpt -148.77 -153.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.4 mt -90.37 40.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.62 161.67 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.226 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.42 130.71 18.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.8 148.34 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.1 167.01 37.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.578 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 1.1 t80 -115.05 136.72 52.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.07 53.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -124.73 148.14 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 23.7 mt -130.37 130.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 1.3 m-85 -87.9 141.15 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.15 -29.83 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.84 123.58 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -45.93 84.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.84 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -54.2 -46.1 72.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.2 -47.03 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.9 m -80.76 -57.24 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 8.3 mt -39.96 -65.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 3.0 mm-40 -87.51 -174.81 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -125.27 -163.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.49 -12.42 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.12 -50.69 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.491 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 2.6 t -80.93 -41.27 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -64.44 -19.34 65.48 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -62.38 -52.94 61.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 2.4 ptmt -56.09 -34.25 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.463 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 18.5 t-20 -119.0 90.39 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -43.49 158.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.63 -76.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.63 169.92 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.81 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -81.18 -156.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . 170.33 95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.205 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -40.51 -66.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 61.78 151.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -167.75 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.9 m -85.22 119.82 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -169.02 170.22 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.18 169.84 21.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.481 0.181 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.02 136.29 52.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.67 142.4 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.26 127.19 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.029 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 mm -86.28 132.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.14 -64.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.395 1.06 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.12 162.04 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -134.05 96.63 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 159.09 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -129.48 140.93 51.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -128.39 91.14 44.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -36.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -39.92 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.52 -12.58 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.05 34.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.61 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 18.9 mtm105 -117.94 171.65 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.16 142.26 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -131.94 98.13 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.228 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.16 142.9 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -112.6 142.19 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 39' ' ' LEU . 9.7 p90 -158.45 -179.62 8.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.98 156.14 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' A' ' 64' ' ' ALA . 6.7 p -127.49 129.94 70.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -117.26 126.07 52.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.85 146.7 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -127.4 93.27 3.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.12 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.53 155.66 39.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -76.22 120.9 83.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -116.06 172.72 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.439 HG22 ' CG1' ' A' ' 52' ' ' VAL . 2.1 mt -63.87 -54.77 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' CD ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -50.91 -41.5 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -28.84 66.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.483 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 5.3 t -79.23 -41.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -64.2 -23.84 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.11 -64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.88 -37.17 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 21' ' ' PHE . 13.5 mt -57.95 -32.12 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 36' ' ' LYS . 5.3 t -68.09 -41.57 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.18 -25.76 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.87 -50.56 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.64 -37.59 65.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.8 t-20 70.49 64.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.54 -174.37 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.25 138.66 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 1.9 ptmt -93.81 -13.02 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -38.22 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -117.63 47.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.493 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 6.1 tt -136.64 135.87 38.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.6 164.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' CG1' HG22 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -95.67 144.39 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -57.22 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -171.58 160.99 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.04 169.1 18.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.2 120.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.03 145.76 55.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 30.3 mm -92.25 132.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -79.63 -30.76 41.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.72 -51.55 48.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -142.1 -154.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -92.3 39.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 1.2 tt0 -98.04 167.35 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.473 ' CB ' HG13 ' A' ' 23' ' ' VAL . . . -155.11 120.24 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.4 tt0 -101.71 141.17 34.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.33 165.1 34.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -113.11 138.16 50.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.97 146.86 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.49 147.96 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 71' ' ' TYR . 35.5 mt -136.68 139.07 45.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.61 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -114.25 179.85 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -106.03 -38.96 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.65 146.79 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 49.0 mt-10 -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -61.54 -42.7 99.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -79.38 -50.99 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 10.7 ttp -55.18 -48.39 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -46.98 -50.97 18.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 80' ' ' ILE . 13.2 m -75.01 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 81' ' ' GLU . 7.3 mt -40.25 -66.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 2.6 mm-40 -89.51 -172.46 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.269 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.7 p -122.36 -164.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.91 -26.31 64.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.37 -46.39 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -79.12 -46.17 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 77' ' ' MET . 0.1 OUTLIER -61.13 -19.48 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -63.01 -53.39 54.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 1.6 ptmt -62.01 -33.82 75.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 18.3 t30 -83.69 104.08 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -61.73 147.93 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -116.3 -80.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 172.69 8.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.13 -169.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 14.3 pt-20 -79.2 -155.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 59.74 65.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.51 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 63.11 128.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 99' ' ' VAL . 12.0 tt0 -168.07 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.543 ' O ' ' O ' ' A' ' 98' ' ' GLU . 8.6 m 44.52 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 101' ' ' GLU . . . -51.88 158.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 3.6 tt0 82.67 164.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.343 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tpp . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.442 0.163 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.92 134.9 54.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 mt -134.73 142.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 125.59 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 109.966 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.4 mm -76.36 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.455 ' CB ' ' HE3' ' A' ' 20' ' ' LYS . 14.3 mm -100.52 -56.28 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -146.6 156.33 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.072 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -134.26 90.56 2.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 158.63 15.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.3 130.83 45.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' ARG . 46.5 m-80 -122.9 91.49 49.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.71 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.77 -15.57 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.219 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.57 40.76 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ASN . 24.9 mtm105 -128.31 170.78 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 139.34 54.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.01 100.42 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.627 1.205 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -124.98 127.71 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 148.39 26.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 39' ' ' LEU . 33.9 p90 -161.21 -179.8 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -135.5 147.89 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' ALA . 7.4 p -129.99 131.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.093 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -119.98 155.51 32.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 32.1 p90 -169.34 166.64 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -97.45 83.62 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 71.8 -59.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.77 108.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.4 109.8 60.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.373 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 16.2 m -122.75 -174.84 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -68.42 -57.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.81 -35.37 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.5 OUTLIER -74.77 -27.93 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 31' ' ' SER . 3.2 t -81.29 -55.21 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -51.29 -25.91 6.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -51.53 -50.93 59.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -49.47 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 21' ' ' PHE . 83.9 mt -51.43 -35.57 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 2.3 t -55.18 -43.02 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.75 -40.07 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.23 -52.69 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -41.23 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.3 t-20 67.56 60.18 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.59 -170.19 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 42.1 t-20 -72.99 91.56 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.72 -23.22 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CD ' ' OD1' ' A' ' 46' ' ' ASN . 34.2 mt-30 -58.24 -71.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 m -88.24 55.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 6.6 tt -136.4 136.86 39.93 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.6 t -153.46 174.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.1 t -111.03 154.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -57.07 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -171.52 168.26 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -147.02 167.75 23.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.3 122.85 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.455 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 37.3 tt0 -80.72 117.87 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.8 mt -63.94 146.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.419 ' N ' HG22 ' A' ' 58' ' ' ILE . 32.3 t80 -92.36 -34.29 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.92 -60.06 2.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' NZ ' ' HE2' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -114.8 -111.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.4 mt -149.7 21.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.582 ' HE2' ' NZ ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -92.38 176.47 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 57' ' ' GLN . . . -151.91 150.59 30.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -124.93 142.5 51.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.3 157.81 30.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 1.6 t80 -107.99 143.67 36.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.43 140.02 46.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.44 ' NZ ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -131.79 144.41 50.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 50' ' ' LEU . 24.9 mt -138.83 134.58 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.6 p90 -114.27 151.06 33.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.54 -35.19 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -151.19 141.49 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.06 -31.19 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -43.87 71.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.93 9.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.194 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 ttp -53.59 -50.45 65.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . . . -47.42 -32.24 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 80' ' ' ILE . 5.2 m -88.57 -50.03 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 79' ' ' THR . 68.7 mt -40.07 -67.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 1.4 mm-40 -98.91 -176.23 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 110.228 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -103.98 -167.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -68.23 -12.22 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.246 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -62.68 -50.73 70.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.093 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -75.97 -40.42 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -67.59 -22.77 65.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.0 -45.7 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -53.1 -69.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' LYS . 46.7 t30 -50.24 113.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ASN . 5.6 mtpt -39.87 155.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -42.37 -88.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.76 147.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -106.64 -179.05 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.79 -162.27 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 173.96 67.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.43 -67.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -169.11 167.87 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.38 -50.55 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.82 133.22 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.32 137.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -165.19 163.45 20.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.252 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpp? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.511 0.196 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.73 97.03 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' CD1' HD23 ' A' ' 39' ' ' LEU . 2.6 mt -112.55 140.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.08 126.74 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.2 mm -80.21 129.53 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.4 mm -92.65 -58.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.37 156.18 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -133.9 91.05 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.46 155.89 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -131.72 134.03 45.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -125.74 91.38 48.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -40.34 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.05 -13.83 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.4 35.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.186 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.716 ' NH2' ' H ' ' A' ' 72' ' ' ASN . 0.7 OUTLIER -117.54 172.84 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.09 127.23 26.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -120.45 107.45 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mt -125.12 127.72 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.36 143.41 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 29.7 p90 -160.5 -179.53 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.2 148.2 52.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.386 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' HB1' ' A' ' 64' ' ' ALA . 9.7 p -121.92 129.87 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 135.88 54.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -167.36 146.1 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.46 92.51 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.08 -78.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.94 159.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.1 116.49 59.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.84 174.42 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.068 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.22 -57.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.97 -29.13 64.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -75.13 -34.28 61.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 39' ' ' LEU . 16.4 t -79.71 -47.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.47 -28.27 5.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.04 -56.16 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -45.71 60.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 35' ' ' VAL . 64.8 mt -49.61 -39.16 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.2 t -55.11 -42.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -40.29 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.81 -52.53 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.8 mt -73.44 -41.12 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.2 t-20 70.78 54.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.3 -172.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.35 122.45 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.38 -37.83 39.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 1.8 mt-30 -86.89 -179.18 6.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 48' ' ' GLN . 16.7 m 47.96 31.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 2.7 tt -135.45 133.45 38.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.3 t -154.39 174.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 t -104.57 150.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -80.49 -55.97 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.69 164.89 12.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -144.59 168.05 21.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.25 117.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -65.08 143.36 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.41 HG13 ' HB3' ' A' ' 63' ' ' GLU . 5.9 mm -91.45 133.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -78.76 -44.56 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.1 -57.44 2.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.3 ptpt -137.31 -156.32 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.8 mt -91.98 45.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HB3' HG13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -104.47 163.69 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.454 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -151.27 130.4 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.03 140.38 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.69 38.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -116.56 144.48 44.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.067 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.73 158.77 16.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.617 ' CE ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -145.11 148.34 33.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 50' ' ' LEU . 73.3 mt -144.08 128.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' LYS . 1.2 m-85 -107.15 156.01 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.716 ' H ' ' NH2' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -75.44 -73.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -128.11 127.91 43.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 -24.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 73' ' ' ASP . 1.6 mtmt -56.14 -49.59 73.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.66 -53.08 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.1 ttp -51.77 -44.82 63.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.28 -30.08 11.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 m -99.3 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.7 mt -44.75 -74.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.1 175.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.7 p -129.72 177.82 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -25.44 60.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -41.81 98.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.44 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 2.9 t -77.92 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -24.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -56.84 -47.32 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.3 ptmt -62.63 -34.57 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.407 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 -68.68 106.05 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.14 149.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.88 -83.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.373 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 5.1 tp10 -172.12 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 2.9 pt-20 -111.55 178.83 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 12.7 pt-20 -84.72 -163.32 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . 169.68 87.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -39.2 -62.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -172.4 166.21 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.541 ' O ' ' O ' ' A' ' 99' ' ' VAL . 15.5 tt0 -168.14 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 98' ' ' GLU . 11.6 m 44.66 102.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.27 -69.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -173.54 170.18 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.441 HG13 HG23 ' A' ' 23' ' ' VAL . 4.9 mt -108.18 146.83 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.73 127.59 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mm -80.58 132.0 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.0 mm -95.13 -58.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -140.83 162.83 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 146.34 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -120.39 125.97 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 3.7 m120 -116.59 91.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.13 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.45 -63.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 2.1 mt -92.21 25.32 2.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.37 38.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 22.0 mtm-85 -114.2 169.68 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -128.42 124.31 35.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -106.39 100.33 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.393 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.19 115.1 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 144.16 28.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.564 1.165 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.659 ' HE2' ' HB2' ' A' ' 68' ' ' ALA . 37.1 p90 -160.07 179.97 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.35 150.14 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 HG13 ' A' ' 3' ' ' ILE . 7.3 p -134.46 130.01 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -131.53 145.29 51.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 15.8 p90 -154.38 158.5 40.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.3 m-20 -88.05 78.98 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 75.8 -57.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.25 112.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.415 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.89 106.36 55.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.817 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.5 m -119.41 -169.09 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -71.73 -57.15 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.654 ' NZ ' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -61.44 -41.71 97.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.11 -50.9 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 31' ' ' SER . 72.2 t -63.33 -31.29 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -61.38 -34.95 76.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -61.8 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.077 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -47.51 73.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.806 HD12 HG12 ' A' ' 35' ' ' VAL . 19.9 mt -51.51 -35.1 38.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.697 HG21 ' CB ' ' A' ' 47' ' ' LYS . 3.4 t -64.9 -42.21 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.33 61.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -77.14 -51.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.74 -36.06 65.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.8 t-20 65.71 61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.06 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.29 -177.39 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -64.59 116.33 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.697 ' CB ' HG21 ' A' ' 40' ' ' VAL . 10.8 ptmt -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.8 m -96.55 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 70' ' ' ILE . 4.8 tt -134.31 134.84 42.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.805 HG11 ' OD1' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -153.32 175.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.2 t -108.8 156.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.34 -56.97 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.16 167.59 12.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -151.62 171.32 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 128.85 10.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.79 147.13 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.9 mm -94.2 140.61 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -88.0 -40.23 14.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.27 2.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.2 ptpt -120.55 -154.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.4 mt -103.47 53.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -119.44 158.48 26.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.225 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -146.58 126.4 13.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.93 141.95 35.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.41 172.62 36.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -125.05 138.21 54.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.659 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -103.46 161.71 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 149.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.605 HD11 HD12 ' A' ' 50' ' ' LEU . 77.6 mt -144.74 141.99 23.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.775 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 2.0 t80 -118.19 -175.05 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -105.78 -55.78 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.48 131.63 40.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.15 -19.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -50.3 73.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.775 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -71.82 -52.8 15.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.453 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 4.5 ttp -51.48 -46.06 62.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.644 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -53.85 -28.79 37.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -92.88 -61.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 ' OH ' ' A' ' 71' ' ' TYR . 13.6 mt -50.45 -79.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.915 ' HG2' HG11 ' A' ' 85' ' ' VAL . 3.1 mp0 -45.8 171.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -118.37 168.28 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.77 -21.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.915 HG11 ' HG2' ' A' ' 81' ' ' GLU . 57.2 t -70.62 -42.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -72.14 -21.1 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.67 -51.6 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.231 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HZ3' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -48.94 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.805 ' OD1' HG11 ' A' ' 51' ' ' VAL . 1.1 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 22' ' ' THR . 6.5 mt -111.29 143.72 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.03 126.73 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 HD11 ' CG1' ' A' ' 42' ' ' VAL . 16.0 mm -79.43 132.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -91.73 -58.61 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -142.22 163.39 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -134.07 94.93 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 157.41 17.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -130.94 134.61 46.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 11.1 m120 -122.4 91.41 49.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.16 2.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mp -44.92 -62.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . 11.7 mt -92.41 24.33 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' HG2' ' ND2' ' A' ' 72' ' ' ASN . 0.7 OUTLIER 38.08 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . 7.3 mtm-85 -109.59 177.54 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 128.68 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.268 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -116.64 103.21 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.75 127.94 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 146.12 30.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.778 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 30.0 p90 -160.55 -179.97 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -133.6 160.84 36.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.911 HG13 ' HB3' ' A' ' 64' ' ' ALA . 3.3 p -133.12 129.33 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -110.97 141.42 44.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -177.05 152.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -131.79 93.13 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 163.04 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -164.12 141.58 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -78.16 143.56 65.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HG2' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.0 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.738 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m -100.7 -174.7 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.09 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.606 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -72.13 -56.43 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.92 -43.99 97.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -32.75 69.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.958 HG12 HD12 ' A' ' 39' ' ' LEU . 16.5 t -78.4 -45.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.34 -29.62 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -57.24 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -74.77 -48.58 24.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.958 HD12 HG12 ' A' ' 35' ' ' VAL . 19.7 mt -50.99 -33.69 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.5 t -63.05 -44.8 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.21 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.585 ' CG1' HD11 ' A' ' 5' ' ' ILE . 91.4 t -72.71 -52.58 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD12 HD11 ' A' ' 50' ' ' LEU . 46.3 mt -73.9 -27.49 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 52.65 58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 -172.75 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.41 ' HB3' HG22 ' A' ' 49' ' ' VAL . 12.5 t-20 -66.19 102.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.77 -24.62 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.09 -47.58 85.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 19.0 m -110.04 57.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.4 tt -135.89 135.49 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG11 ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -153.59 172.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.9 t -107.1 151.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -88.7 -57.03 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.51 160.81 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -135.59 171.41 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.14 131.62 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -76.54 140.36 41.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 17.3 mm -87.42 132.21 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -77.92 -47.0 19.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.71 -51.05 1.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.8 ptpt -139.01 -152.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.6 mt -98.66 40.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -96.19 172.77 7.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.911 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -158.51 121.22 3.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.8 143.68 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.226 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.55 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -156.19 161.88 31.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.468 ' CD2' ' C ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -116.25 131.9 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -104.13 129.0 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -116.38 142.84 46.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -135.84 135.8 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 4.4 p90 -113.45 166.99 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -73.29 -55.21 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.42 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.61 150.67 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.222 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.5 mt-10 -57.7 -20.7 35.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -60.42 -50.3 74.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.93 -52.91 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 ttp -50.42 -51.32 47.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.636 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.64 -28.95 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 m -96.7 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 81' ' ' GLU . 13.9 mt -44.15 -73.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 1.002 ' HG2' HG11 ' A' ' 85' ' ' VAL . 1.5 mp0 -47.31 172.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' VAL . 19.7 p -123.17 163.37 20.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -48.38 -26.74 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -65.14 -38.49 90.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 1.002 HG11 ' HG2' ' A' ' 81' ' ' GLU . 14.0 t -75.21 -65.6 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -48.26 -24.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -46.54 80.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.8 ptmt -62.78 -34.72 77.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.642 ' OD1' HG11 ' A' ' 51' ' ' VAL . 16.4 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' A' ' 21' ' ' PHE . 10.3 mt -120.42 144.56 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.96 127.33 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 21' ' ' PHE . 31.0 mm -80.18 130.23 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.7 mm -89.74 -58.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -145.44 164.56 31.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.25 99.36 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 154.66 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -132.94 131.97 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ARG . 44.0 m-80 -127.8 91.45 45.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.51 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.16 -14.48 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.5 40.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -129.0 160.72 31.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -130.79 126.52 36.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 15.6 mt-10 -117.45 117.86 30.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.42 123.0 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.66 136.99 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 39' ' ' LEU . 8.7 p90 -159.69 -179.67 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -131.71 156.05 46.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.783 ' CG1' HD11 ' A' ' 55' ' ' LEU . 1.9 p -138.31 130.53 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.98 156.73 42.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.961 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.56 -172.86 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.12 84.9 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.32 154.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.96 99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -84.5 147.13 48.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m -110.34 179.97 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -69.42 -55.67 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -62.17 -30.63 71.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 0.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.1 OUTLIER -77.35 -28.33 52.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 31' ' ' SER . 10.9 t -81.33 -55.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.655 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -51.29 -25.34 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -52.05 -49.97 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.7 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.904 HD21 ' CE2' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -53.8 -34.04 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.5 t -55.17 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 -43.11 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.53 -51.33 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -75.18 -31.95 61.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.2 t-20 56.57 50.66 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.71 -170.67 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.86 98.56 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.53 -23.6 58.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.84 -59.73 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.1 m -99.25 53.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.677 HD12 ' CD1' ' A' ' 70' ' ' ILE . 1.8 tt -135.8 135.25 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 89' ' ' ASN . 1.4 t -153.48 175.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.523 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -106.36 150.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -55.77 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.86 160.87 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD11 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -134.69 170.95 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -161.95 122.07 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.85 145.75 55.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 23.1 mm -93.55 133.15 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' GLY . 56.2 t80 -76.04 -49.31 17.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -37.16 -61.0 1.02 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.2 ptpt -127.8 -153.03 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 0.713 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -99.93 44.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -98.86 172.21 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.641 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -155.48 118.07 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.2 tt0 -101.82 143.03 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.58 160.25 32.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.527 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -105.25 134.28 48.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.38 128.46 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.185 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' NZ ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -128.19 145.34 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.677 ' CD1' HD12 ' A' ' 50' ' ' LEU . 12.5 mt -136.76 143.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -101.27 178.45 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.99 -41.24 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.54 133.91 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.2 mt-10 -53.21 -19.76 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 2.4 mmpt? -56.54 -50.63 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -75.91 -53.05 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.652 ' CG ' HD21 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -50.08 -44.46 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -54.18 -27.77 36.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.8 m -99.96 -65.68 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 81' ' ' GLU . 16.2 mt -51.86 -81.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.743 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.75 148.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 p -99.19 162.68 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -53.65 -20.53 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -50.53 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.743 HG11 ' HG2' ' A' ' 81' ' ' GLU . 50.0 t -61.73 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.652 HD21 ' CG ' ' A' ' 77' ' ' MET . 23.7 mt -74.41 -31.24 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -49.18 -43.33 42.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.52 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.564 ' HB2' HG11 ' A' ' 51' ' ' VAL . 2.9 t30 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 22' ' ' THR . 9.9 mt -132.29 146.7 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 127.09 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.546 HD13 ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm -81.89 134.11 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mm -94.05 -61.83 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -135.7 158.53 44.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.27 98.8 4.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 158.76 17.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -130.43 135.52 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ARG . 37.0 m-80 -129.99 91.51 39.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.53 2.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.22 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.92 -9.16 54.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.06 47.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.586 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -125.99 169.49 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -123.96 142.43 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.79 91.33 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.3 mt -122.52 117.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.16 137.81 32.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.869 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 18.9 p90 -154.16 -179.77 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -138.52 160.02 40.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.931 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.8 p -132.25 131.04 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.76 129.46 56.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -169.71 147.98 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.721 ' HA ' HD22 ' A' ' 62' ' ' LEU . 3.1 p30 -125.91 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.93 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.75 143.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 5.5 t -73.78 130.22 83.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.99 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.0 m -159.46 -178.28 7.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.44 -53.4 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.12 -39.38 89.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -64.8 -34.68 78.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.8 HG12 HD12 ' A' ' 39' ' ' LEU . 24.0 t -79.75 -45.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -52.56 -28.93 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -51.58 -54.47 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -71.85 -51.07 24.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.869 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 17.8 mt -51.46 -33.36 30.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.7 t -59.76 -42.92 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.85 64.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 38' ' ' LYS . 39.8 t -67.35 -51.01 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.97 -33.11 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.6 t-20 56.31 64.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.69 -170.65 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.07 100.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -62.67 -23.94 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.79 -53.73 54.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.4 m -105.65 58.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 70' ' ' ILE . 2.1 tt -136.31 135.64 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.53 173.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.44 148.27 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -56.93 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.82 161.64 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -136.5 168.85 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.74 125.91 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.1 145.44 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 27.8 mm -96.35 132.05 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -79.26 -46.55 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.98 -49.18 2.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.4 ptpt -143.66 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 26' ' ' ASP . 2.0 mt -98.6 50.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.8 OUTLIER -107.36 168.16 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.931 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -156.51 119.79 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.91 144.02 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.0 147.02 12.14 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -94.66 140.65 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.606 0.827 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 141.85 36.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -133.17 141.46 48.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 50' ' ' LEU . 36.3 mt -140.14 138.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.636 ' OH ' HD12 ' A' ' 80' ' ' ILE . 2.6 t80 -113.73 -175.59 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -106.82 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 124.4 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 37.4 mt-10 -64.45 -19.52 65.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.14 -46.98 84.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -52.97 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -53.09 -45.68 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 111.053 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.636 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -50.09 -30.11 10.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.9 m -92.49 -61.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.636 HD12 ' OH ' ' A' ' 71' ' ' TYR . 6.0 mt -39.35 -67.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.701 ' HG3' HG21 ' A' ' 85' ' ' VAL . 3.1 mm-40 -81.96 -173.39 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 p -129.81 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.31 -21.01 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -55.8 -50.81 69.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.701 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -82.84 -46.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -57.45 -21.15 35.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -58.55 -52.6 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mppt? -49.02 -57.86 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.589 HD13 ' CD2' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -112.35 148.57 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -135.8 128.63 31.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 136.69 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.39 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -136.16 164.57 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -133.92 92.64 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.97 16.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -143.04 119.96 11.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -119.92 91.81 45.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.577 1.83 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.9 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.33 -12.47 42.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 67.34 58.25 0.55 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -179.17 129.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.4 ttt180 -84.88 132.58 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -115.92 114.77 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' SER . 5.6 mt -121.91 144.14 32.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.79 ' HZ3' ' CD ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -108.05 140.74 40.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.842 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 6.5 p90 -156.4 -179.15 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.444 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -143.82 156.81 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 3' ' ' ILE . 10.5 p -134.35 132.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.08 139.13 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 27' ' ' ALA . 11.8 p90 -177.09 -177.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -104.63 87.82 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.602 ' O ' ' CE1' ' A' ' 25' ' ' PHE . . . 48.28 -102.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . 38.78 74.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 102.81 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.771 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.86 162.07 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.694 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.7 mt -68.46 -55.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -30.36 70.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.32 -33.63 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.208 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 31' ' ' SER . 25.2 t -77.6 -38.89 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -56.53 -29.73 62.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -59.73 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.87 -48.98 56.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.842 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 20.7 mt -51.53 -33.8 33.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.1 t -61.33 -44.16 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.67 62.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 38' ' ' LYS . 93.2 t -70.11 -52.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.8 -27.59 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.2 t-20 50.96 65.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.49 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' HG22 ' A' ' 49' ' ' VAL . 47.8 t-20 -66.53 109.39 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -68.56 -21.56 64.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.94 -53.03 61.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 33.2 m -109.01 63.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 HG23 ' A' ' 40' ' ' VAL . 6.2 tt -136.25 135.33 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -153.81 173.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.694 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.9 t -108.31 150.66 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -57.26 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.77 157.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -134.3 168.83 18.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 133.76 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -74.41 138.83 43.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 28.5 mm -85.2 134.11 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -80.85 -36.73 31.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.77 -45.34 24.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -146.4 -150.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mt -98.86 37.77 1.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -95.1 171.86 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.29 122.08 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.79 ' CD ' ' HZ3' ' A' ' 20' ' ' LYS . 4.3 tt0 -101.73 143.49 31.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.554 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.28 167.01 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -120.38 138.19 53.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.26 131.25 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 144.76 49.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' ARG . 32.4 mt -137.4 134.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.55 ' CZ ' ' HE1' ' A' ' 77' ' ' MET . 3.1 p90 -114.19 148.11 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -81.92 -42.26 19.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -134.06 126.3 29.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -24.04 67.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.445 ' HD3' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.15 -45.0 71.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -52.8 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.55 ' HE1' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttp -54.44 -52.47 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.748 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.27 -30.63 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -90.47 -63.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 81' ' ' GLU . 11.5 mt -45.47 -73.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.887 ' HG2' HG11 ' A' ' 85' ' ' VAL . 6.5 mp0 -51.87 179.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -124.1 -158.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -83.2 -24.57 32.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -38.96 81.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.887 HG11 ' HG2' ' A' ' 81' ' ' GLU . 14.8 t -75.22 -65.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -47.71 -24.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -56.46 -52.36 65.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -65.25 -33.55 76.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.7 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.41 143.46 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.49 128.04 42.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 42' ' ' VAL . 30.6 mm -78.49 135.45 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mm -99.11 -57.89 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -144.95 160.54 41.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.12 94.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 158.15 16.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -126.3 130.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.511 ' ND2' ' OE2' ' A' ' 18' ' ' GLU . 3.3 m120 -120.82 91.54 47.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.11 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.92 -15.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.64 30.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 19.1 mtm105 -115.04 179.11 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 126.02 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' OE2' ' ND2' ' A' ' 11' ' ' ASN . 27.4 mt-10 -104.64 101.74 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -124.89 121.4 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 146.34 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.76 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 37.2 p90 -158.65 -179.97 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.06 161.46 28.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.728 HG13 ' HB3' ' A' ' 64' ' ' ALA . 1.5 p -139.17 122.44 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -112.79 138.46 49.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -173.48 147.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.716 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.07 84.59 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.43 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -173.72 156.1 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.4 127.15 91.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -90.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -160.38 162.23 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 mt -60.2 -53.99 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 1.4 tttt -57.57 -49.57 75.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.33 -34.64 68.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.2 t -78.1 -33.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.83 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -66.37 -27.98 68.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.94 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.1 -36.87 83.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.76 HD21 ' CZ ' ' A' ' 21' ' ' PHE . 38.0 mt -55.34 -37.0 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 36' ' ' LYS . 75.8 t -63.8 -42.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.27 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 5' ' ' ILE . 41.6 t -76.56 -52.63 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.26 -37.65 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.9 t-20 70.16 56.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.27 -170.32 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -61.86 141.33 58.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.566 ' CB ' HG21 ' A' ' 40' ' ' VAL . 12.4 ptmt -102.64 -22.08 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.22 -51.17 48.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.218 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 49' ' ' VAL . 13.0 m -99.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD12 ' CD1' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -136.16 134.53 38.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.77 174.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' H ' HG12 ' A' ' 51' ' ' VAL . 2.1 t -106.24 156.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -57.28 2.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -163.58 162.32 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 171.96 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -157.4 126.16 5.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -90.18 128.55 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -71.95 134.81 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -84.26 -43.17 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.65 -54.88 4.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.0 -145.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.7 mt -116.0 43.31 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -106.03 172.08 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.728 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.38 136.25 9.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.1 tt0 -122.01 139.82 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.01 35.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 11.9 t80 -119.35 138.78 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.576 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -103.67 158.42 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' NZ ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -139.82 150.21 44.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.658 ' CD1' HD12 ' A' ' 50' ' ' LEU . 72.8 mt -142.7 136.14 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.582 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -109.39 -177.19 3.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -108.29 -42.55 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.97 124.4 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.64 -19.87 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 2.6 mmpt? -58.77 -43.59 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.35 -51.78 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.569 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 6.5 ttp -54.74 -49.56 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.619 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.32 -50.74 21.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -73.65 -61.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.46 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 81' ' ' GLU . 7.5 mt -40.16 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.66 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.6 mm-40 -84.88 -174.44 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -130.55 -169.76 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -61.64 -19.72 62.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -50.93 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.66 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -78.92 -42.71 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -64.51 -19.66 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -62.72 -53.14 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -62.52 -33.41 74.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.462 ' HA ' HG11 ' A' ' 51' ' ' VAL . 15.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.52 HG13 HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -121.43 146.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.58 128.83 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.9 mm -76.67 141.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.4 mm -105.6 -57.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -139.96 162.8 34.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 9.3 p-10 -134.04 87.37 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.98 154.73 17.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.31 132.49 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ARG . 8.2 m120 -122.27 91.43 49.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.43 -69.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.633 HD22 HH21 ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.14 -18.63 62.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 80.81 33.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.633 HH21 HD22 ' A' ' 14' ' ' LEU . 31.2 mtm180 -126.22 166.05 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.12 126.19 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.45 106.69 16.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.18 132.99 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.636 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.75 142.26 44.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.188 . . . . 0.0 109.369 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 1.205 ' CE1' HD21 ' A' ' 39' ' ' LEU . 3.0 p90 -156.6 -179.62 8.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.26 159.08 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.577 ' CG1' HD11 ' A' ' 55' ' ' LEU . 7.5 p -146.34 132.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -133.65 150.49 51.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -160.72 166.22 29.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -118.27 103.34 9.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . 63.36 155.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' ALA . . . 72.81 100.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -96.8 115.65 65.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.69 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.8 m -127.72 177.76 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.441 HG23 ' HB ' ' A' ' 52' ' ' VAL . 2.0 mt -65.46 -52.82 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -27.64 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.842 HG12 HD12 ' A' ' 39' ' ' LEU . 3.5 t -78.94 -38.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.395 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.03 -27.32 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -56.2 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.741 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.39 -50.73 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.205 HD21 ' CE1' ' A' ' 21' ' ' PHE . 16.5 mt -51.35 -34.79 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.6 t -59.58 -43.16 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.25 64.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 38' ' ' LYS . 21.2 t -67.47 -52.52 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -74.15 -33.0 63.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.2 t-20 57.13 63.24 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.38 -175.3 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.39 103.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HB2' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.95 -25.45 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -58.88 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 49' ' ' VAL . 23.0 m -91.82 52.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.7 OUTLIER -133.42 135.53 44.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -153.41 175.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.45 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -105.53 146.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -170.81 161.52 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.585 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -138.26 172.43 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.23 123.87 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.9 145.08 48.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 21.3 mm -93.24 131.67 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -76.16 -48.59 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.3 -59.73 1.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.8 ptpt -128.49 -154.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.5 mt -98.43 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -96.84 170.41 9.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.585 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -158.23 116.58 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.3 tt0 -101.99 142.3 33.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.79 172.32 35.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.636 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.2 t80 -118.22 129.72 55.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . . . -103.94 128.55 51.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.618 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -117.03 150.37 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.1 mt -123.79 136.36 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.618 ' CE2' ' NZ ' ' A' ' 69' ' ' LYS . 45.8 m-85 -95.99 174.09 7.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.72 -44.09 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.52 125.71 7.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.23 -19.66 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -49.91 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -72.55 -53.1 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 1.2 ttp -49.99 -45.11 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.32 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -99.85 -65.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.3 mt -40.42 -71.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HG3' HG21 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -57.95 175.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -129.01 168.12 16.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.41 -23.55 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -48.01 80.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.92 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 81' ' ' GLU . 95.7 t -71.09 -46.2 68.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.49 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -63.57 -53.71 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -67.74 -32.8 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 33.4 t30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.222 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.606 HD13 ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -119.29 148.85 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.63 130.65 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.868 HD11 ' CG1' ' A' ' 42' ' ' VAL . 21.6 mm -79.7 134.88 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.19 -61.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -135.15 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.42 97.7 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 150.73 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -134.05 125.09 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.76 91.58 26.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.48 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.5 -59.95 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 mt -92.39 25.03 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 38.06 49.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.542 HH21 ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -130.97 172.92 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' LYS . 1.9 ttt180 -138.58 124.8 20.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.17 114.48 24.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.42 1.075 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.38 122.09 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 1.5 tppt? -91.32 134.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 15.0 p90 -146.72 -179.64 6.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 111.035 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -139.84 166.05 25.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.075 HG13 ' HB3' ' A' ' 64' ' ' ALA . 10.6 p -143.05 133.93 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.0 132.28 56.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' C ' ' A' ' 27' ' ' ALA . 1.8 p90 -177.15 155.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -106.39 82.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 176.17 -155.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.14 138.82 50.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.6 m -56.66 143.63 67.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.919 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.0 m -147.22 178.15 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.723 HG23 HG12 ' A' ' 52' ' ' VAL . 1.8 mt -67.36 -53.99 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.07 -44.47 91.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -32.4 69.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.971 HG12 HD12 ' A' ' 39' ' ' LEU . 69.1 t -78.75 -39.82 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -60.21 -27.14 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -64.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.8 -35.66 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.971 HD12 HG12 ' A' ' 35' ' ' VAL . 17.5 mt -62.78 -31.06 71.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.2 t -64.35 -40.3 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.868 ' CG1' HD11 ' A' ' 5' ' ' ILE . 42.6 t -72.85 -51.3 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 70' ' ' ILE . 38.4 mt -72.47 -35.3 68.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.97 74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -156.71 -170.5 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -70.3 109.21 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.605 ' CB ' HG21 ' A' ' 40' ' ' VAL . 10.6 ptmt -67.1 -24.3 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.19 -53.95 52.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.53 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 50' ' ' LEU . 3.3 tt -136.13 140.62 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.55 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -155.12 170.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.723 HG12 HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.85 142.55 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -57.25 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -174.14 167.47 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -143.16 169.97 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.91 118.36 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -78.52 123.58 27.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.416 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 1.4 mt -63.85 135.47 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.32 -48.55 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.68 -63.19 0.88 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.567 1.167 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -115.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 0.729 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.9 mt -112.63 45.15 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -102.25 173.92 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.075 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -157.69 134.6 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.14 141.93 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.56 167.03 35.61 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -115.87 131.61 56.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.966 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -106.41 126.09 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.05 147.13 45.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 43' ' ' LEU . 8.9 mt -129.72 133.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 80.9 m-85 -89.1 -178.56 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.48 -46.01 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.4 129.77 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.7 OUTLIER -49.85 -22.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.35 74.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -51.42 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 9.4 ttp -52.23 -46.61 65.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 74' ' ' GLU . . . -47.06 -30.57 2.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.7 m -100.04 -58.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.542 ' CG2' HH21 ' A' ' 16' ' ' ARG . 5.2 mt -39.76 -66.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.68 ' HG3' HG11 ' A' ' 85' ' ' VAL . 2.7 mm-40 -84.59 -175.06 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.4 p -133.59 -179.16 5.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.445 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -25.88 15.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -50.81 69.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.68 HG11 ' HG3' ' A' ' 81' ' ' GLU . 2.4 t -78.39 -50.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -53.14 -26.23 16.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -43.62 76.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -52.14 -68.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.55 ' HB2' HG11 ' A' ' 51' ' ' VAL . 8.6 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.475 HG23 ' HD2' ' A' ' 21' ' ' PHE . 4.0 mt -127.43 147.59 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.18 126.78 38.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' ' 21' ' ' PHE . 28.6 mm -81.26 137.14 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.5 mm -96.64 -61.71 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 19' ' ' ILE . 5.7 p -145.09 168.68 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -134.45 108.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 158.2 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -127.18 142.12 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' ARG . 30.1 m-80 -135.66 91.4 18.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.01 -33.85 4.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.9 mp -40.22 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -6.23 53.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 70.01 49.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -122.61 168.04 12.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -137.13 115.19 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -110.79 117.22 32.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 7' ' ' SER . 5.7 mt -124.32 125.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -90.45 135.67 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 11.8 p90 -150.26 -179.67 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER -134.66 156.7 48.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.047 HG13 ' HB3' ' A' ' 64' ' ' ALA . 4.1 p -135.26 128.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -115.84 141.88 47.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HE1' ' HB2' ' A' ' 64' ' ' ALA . 12.0 p90 -176.47 146.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.694 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -127.35 94.84 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.14 -81.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.35 156.09 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.81 115.29 50.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -161.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.96 173.88 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.61 -55.12 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -30.63 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -79.77 -30.11 40.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG12 HD12 ' A' ' 39' ' ' LEU . 2.8 t -79.23 -47.39 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.43 -28.05 7.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.12 -57.41 9.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.98 -49.88 59.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.993 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 18.9 mt -51.52 -35.93 42.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.6 t -60.84 -44.67 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.51 62.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 38' ' ' LYS . 97.0 t -69.15 -52.87 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 70' ' ' ILE . 22.0 mt -75.09 -35.1 61.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.2 t-20 66.42 50.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.44 -174.98 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.84 125.3 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' CB ' HG21 ' A' ' 40' ' ' VAL . 1.7 ptmt -85.89 -14.15 45.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.59 -46.08 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' ILE . 25.0 m -109.89 52.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 70' ' ' ILE . 4.6 tt -136.23 135.02 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.19 164.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.54 144.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.81 -52.28 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.72 146.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.881 HD21 HG11 ' A' ' 23' ' ' VAL . 3.8 tp -114.56 168.95 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.37 109.01 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -79.99 120.0 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.3 mt -66.01 128.68 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -76.55 -33.66 58.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.145 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.6 -43.79 53.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.9 ptpt -135.62 -145.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.1 mt -116.9 43.7 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -104.56 167.1 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.047 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -146.9 132.53 18.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -128.62 131.14 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.75 173.2 35.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -109.04 135.03 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.508 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -108.24 124.35 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HE3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.67 150.18 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.669 ' CD1' HD12 ' A' ' 50' ' ' LEU . 15.8 mt -134.25 132.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 18.1 m-85 -88.04 171.62 10.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -101.75 -33.61 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -160.65 143.95 13.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.23 -34.28 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -53.83 -44.64 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.23 -52.43 12.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.614 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttp -54.34 -47.37 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.24 -43.14 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.6 m -82.57 -64.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.063 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.428 ' CG2' ' NH2' ' A' ' 16' ' ' ARG . 6.4 mt -40.04 -60.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.593 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.3 mm-40 -92.13 -179.34 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.485 ' O ' HD22 ' A' ' 86' ' ' LEU . 11.3 p -130.64 -157.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.18 -14.52 63.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -50.86 71.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.609 1.193 . . . . 0.0 109.993 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.593 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.1 t -82.37 -45.52 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -58.14 -22.62 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -57.16 -47.88 80.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.249 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 11.0 mtpt -52.02 -68.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mt -117.48 131.52 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.2 126.24 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.602 HD11 HG11 ' A' ' 42' ' ' VAL . 35.2 mm -77.92 132.4 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mm -95.39 -56.4 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 109.233 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.1 p -138.68 159.73 41.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -134.05 91.51 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.43 149.1 26.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -124.34 137.96 54.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.35 91.37 46.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.42 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.51 -19.2 65.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 23.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.694 HH21 ' HG3' ' A' ' 69' ' ' LYS . 56.9 mtp180 -117.86 171.52 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.5 tpt180 -116.27 142.54 46.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -129.87 93.3 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 7' ' ' SER . 4.8 mt -124.75 130.38 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.98 144.59 35.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.672 ' HE2' ' HB2' ' A' ' 68' ' ' ALA . 23.1 p90 -160.96 -179.74 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -127.86 153.58 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.804 ' CG1' HD11 ' A' ' 55' ' ' LEU . 2.2 p -137.8 131.32 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.07 148.61 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -154.01 -172.9 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 4.7 m-20 -122.32 89.17 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 70.63 -60.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.51 109.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -103.29 106.66 52.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HB2' HG23 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.04 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m -132.58 -167.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.532 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.27 -57.33 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.54 -44.33 87.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.0 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.7 t -78.6 -42.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -49.25 -32.26 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -53.63 36.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.12 -47.21 59.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.521 ' CD1' HG12 ' A' ' 35' ' ' VAL . 62.4 mt -51.01 -41.08 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.667 HG21 ' CB ' ' A' ' 47' ' ' LYS . 7.5 t -55.37 -42.53 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.19 62.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 5' ' ' ILE . 76.3 t -63.96 -52.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.717 HD12 HD11 ' A' ' 70' ' ' ILE . 21.4 mt -75.14 -41.21 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.8 t-20 73.4 51.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.39 -169.4 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -75.19 116.48 15.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.667 ' CB ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.51 -26.25 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.76 -38.62 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 4.0 m -122.41 62.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 36' ' ' LYS . 2.8 tt -136.05 134.43 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.4 t -153.23 172.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.1 t -110.29 153.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -83.14 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -176.95 159.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.804 HD11 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -133.69 170.5 15.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.38 124.59 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -70.51 139.86 51.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.435 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 26.2 mm -89.16 132.87 32.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLY . 34.6 t80 -76.24 -49.41 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -36.67 -54.19 1.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.6 ptpt -134.78 -151.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.9 mt -101.59 40.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -95.46 174.01 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.563 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -160.81 119.36 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -101.95 142.68 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.24 173.5 37.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.5 t80 -120.75 151.96 38.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.672 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -121.06 151.14 40.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.694 ' HG3' HH21 ' A' ' 16' ' ' ARG . 0.0 OUTLIER -141.11 150.4 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.717 HD11 HD12 ' A' ' 43' ' ' LEU . 30.5 mt -139.77 133.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.8 p90 -115.19 150.81 35.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -79.64 -36.5 37.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.17 144.22 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.88 -30.81 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' CD ' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -53.9 -41.76 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.18 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.605 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.2 ttp -54.63 -50.71 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.432 ' O ' HD11 ' A' ' 86' ' ' LEU . . . -46.69 -44.14 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 m -76.39 -54.26 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 81' ' ' GLU . 6.6 mt -41.06 -70.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.675 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.2 mm-40 -86.58 175.38 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -105.63 -167.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.86 -27.12 66.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -56.3 -47.61 78.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.675 HG21 ' HG3' ' A' ' 81' ' ' GLU . 3.5 t -79.93 -53.03 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 78' ' ' ALA . 11.3 mt -55.27 -21.01 12.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -59.97 -53.79 53.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.2 ptmt -52.43 -34.42 48.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.0 mt -122.0 145.16 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 131.88 25.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mm -81.42 133.99 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -96.98 -58.39 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 19' ' ' ILE . 51.1 m -143.19 164.43 30.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -134.42 97.82 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.3 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -116.64 126.67 53.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.43 91.63 49.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.86 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -50.16 -61.62 2.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.63 -16.31 62.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 59.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.607 ' HD2' ' HZ3' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -177.88 142.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.8 ttt180 -108.56 141.16 40.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.574 1.172 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -126.05 121.7 33.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' SER . 6.6 mt -122.55 123.5 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -88.8 134.94 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 1.093 ' CE1' HD21 ' A' ' 39' ' ' LEU . 5.1 p90 -155.81 -179.43 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -130.45 156.83 44.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.791 HG11 HD11 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -142.23 129.56 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -131.1 156.72 44.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -154.79 -176.51 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.9 m-20 -101.43 80.57 2.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' ASP . . . 59.29 155.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.47 136.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -113.21 141.99 26.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -90.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m 179.94 -179.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.16 -57.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -58.46 -35.03 71.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.77 -27.58 60.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 31' ' ' SER . 3.0 t -81.43 -55.33 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.208 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.05 -25.49 3.46 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -52.27 -52.7 51.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -51.28 42.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.093 HD21 ' CE1' ' A' ' 21' ' ' PHE . 1.3 mt -51.98 -37.28 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.68 ' CG2' HD22 ' A' ' 50' ' ' LEU . 2.2 t -55.39 -39.33 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.93 58.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.61 -51.51 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.52 -31.7 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' VAL . 15.5 t-20 55.02 55.58 7.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.5 -170.49 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -73.7 98.84 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -22.94 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.56 -64.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 70' ' ' ILE . 26.7 m -97.08 55.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD12 ' CD1' ' A' ' 70' ' ' ILE . 3.4 tt -134.82 134.41 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.938 HG11 ' HB3' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -154.56 176.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t -109.29 150.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.06 161.89 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.791 HD11 HG11 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -140.08 169.47 17.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.17 115.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -78.06 122.76 26.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.4 mt -63.61 142.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -87.3 -47.21 9.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.41 -56.38 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.5 ptpt -122.76 -153.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -107.19 44.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -102.15 171.51 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -159.31 135.82 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -124.43 141.52 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.12 161.26 31.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -106.02 132.87 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 0.824 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.63 124.55 49.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.607 ' HZ3' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -124.25 148.82 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.723 ' CD1' HD12 ' A' ' 50' ' ' LEU . 49.8 mt -138.73 140.02 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -100.02 141.01 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.81 -37.69 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.91 134.67 5.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.3 mp0 -58.37 -19.29 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.12 -44.27 83.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -80.97 -53.94 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -50.7 -44.35 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -51.8 -31.55 27.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -99.97 -66.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 29.7 mt -46.67 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.89 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -45.38 153.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 p -109.09 169.51 8.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -52.44 -23.98 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.89 HG11 ' HG2' ' A' ' 81' ' ' GLU . 39.5 t -74.04 -51.65 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -61.84 -23.33 66.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 1.067 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.64 -49.75 74.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -49.31 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.938 ' HB3' HG11 ' A' ' 51' ' ' VAL . 8.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 39' ' ' LEU . 1.3 mt -115.32 144.97 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.14 125.29 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 21' ' ' PHE . 19.0 mm -82.11 133.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 mm -98.24 -58.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.87 162.95 33.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.19 100.94 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 159.21 17.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -133.91 132.45 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.0 m120 -124.06 91.51 49.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.531 1.806 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.9 -63.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -92.02 25.5 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.51 33.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 16.9 mtm-85 -107.41 168.95 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.9 123.52 37.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.18 125.7 71.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -117.56 139.04 51.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.688 ' HB3' HD13 ' A' ' 5' ' ' ILE . 3.1 p90 -159.95 179.89 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -125.31 157.3 37.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.1 p -126.7 123.66 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -105.48 138.18 42.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -170.95 145.72 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.582 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.5 p-10 -128.96 99.57 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 170.73 -93.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.92 156.95 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -80.24 123.23 83.31 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -118.61 -170.49 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.474 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.08 -57.2 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -54.56 -51.54 64.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -34.93 59.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 39' ' ' LEU . 2.7 t -78.24 -36.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.83 -20.99 61.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -63.1 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.814 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.704 HD12 HG12 ' A' ' 35' ' ' VAL . 22.7 mt -58.84 -40.37 84.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 36' ' ' LYS . 3.8 t -56.38 -43.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.99 63.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 38' ' ' LYS . 92.3 t -64.94 -52.66 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD12 HD11 ' A' ' 50' ' ' LEU . 70.8 mt -74.65 -40.64 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' VAL . 8.9 t-20 74.13 45.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.71 -170.73 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.49 ' ND2' HG22 ' A' ' 49' ' ' VAL . 14.6 t-20 -65.29 148.77 51.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.5 ' CB ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -110.42 -31.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -61.4 -13.8 22.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG22 ' ND2' ' A' ' 46' ' ' ASN . 31.2 m -138.31 47.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.696 HD12 ' CD1' ' A' ' 70' ' ' ILE . 3.7 tt -136.37 134.05 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 89' ' ' ASN . 1.5 t -153.64 173.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.494 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -107.75 151.09 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.27 -56.6 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -165.99 166.55 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.355 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -147.41 170.83 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -155.86 120.5 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -69.1 144.57 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.5 mm -90.72 130.82 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.91 -25.76 34.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.52 -49.89 69.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -140.74 -151.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.84 44.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.376 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 169.21 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -155.88 120.67 4.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.2 tt0 -101.72 138.57 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.523 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -159.37 168.52 35.31 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 8.9 t80 -117.11 141.98 47.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' TYR . . . -107.19 165.3 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 148.39 32.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.696 ' CD1' HD12 ' A' ' 50' ' ' LEU . 86.9 mt -144.45 143.13 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.778 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 2.1 t80 -121.39 -175.66 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.063 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.98 -55.81 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 130.47 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.39 -19.38 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -58.63 -50.37 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.778 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -71.6 -51.85 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.478 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 1.4 ttp -52.34 -47.37 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.562 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -48.77 -29.21 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.8 m -89.91 -65.28 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.661 HD12 ' OH ' ' A' ' 71' ' ' TYR . 20.6 mt -47.27 -75.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.753 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -43.76 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -120.9 176.88 5.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -60.16 -15.73 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -44.96 36.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.753 HG11 ' HG2' ' A' ' 81' ' ' GLU . 74.1 t -73.41 -54.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -57.47 -25.9 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.77 -49.94 69.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.24 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.715 ' HZ3' ' HA ' ' A' ' 85' ' ' VAL . 1.5 mppt? -49.33 -64.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.586 ' HB2' HG11 ' A' ' 51' ' ' VAL . 64.7 t30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -107.02 142.85 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.85 126.2 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -78.39 134.76 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.1 mm -98.25 -57.12 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -140.22 168.92 18.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -134.23 101.71 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.94 138.65 43.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.093 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -126.32 125.94 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -124.3 91.75 49.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.38 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -47.21 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.66 -14.24 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.92 50.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -160.43 145.92 14.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -105.11 135.66 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -121.9 115.76 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -125.42 136.51 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' CG ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.08 142.3 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.732 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 42.0 p90 -157.1 -179.85 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -130.34 142.09 50.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' HB ' ' CG1' ' A' ' 3' ' ' ILE . 3.4 p -125.07 129.08 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -95.29 139.07 32.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 23' ' ' VAL . 75.4 m-85 -129.09 166.02 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.723 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.5 m-20 -157.89 68.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 160.87 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.87 156.23 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 135.53 47.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.917 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.2 m -159.98 -176.92 5.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.073 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.39 -55.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -60.57 -41.66 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' MET . 1.1 t70 -57.46 -35.28 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 31' ' ' SER . 97.3 t -80.09 -51.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.31 -26.79 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 1.2 mtm -51.47 -57.34 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -50.32 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.849 ' CD1' HG12 ' A' ' 35' ' ' VAL . 9.4 mt -50.04 -36.23 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.9 t -58.64 -42.67 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.04 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.51 -51.73 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.71 -33.1 68.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 71.07 63.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.98 -169.89 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -83.33 -172.1 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 49' ' ' VAL . 14.4 ptmt -112.44 -133.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 mt-30 34.72 -95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 6.3 m -40.15 -29.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 51' ' ' VAL . 1.1 tt -83.28 134.73 34.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -154.88 175.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.3 t -104.52 143.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -73.92 -56.94 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.22 160.82 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.486 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -136.45 168.59 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.44 120.58 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.94 140.7 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mm -88.82 134.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.8 -45.95 17.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.4 -48.85 2.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.7 ptpt -144.35 -156.37 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD13 ' OD2' ' A' ' 26' ' ' ASP . 1.8 mt -93.74 39.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.28 165.01 12.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -152.55 132.87 13.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.03 139.71 49.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.28 166.68 33.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.61 ' CD2' ' CG ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -119.44 138.69 52.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 0.822 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.98 145.05 49.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' HD12 ' A' ' 50' ' ' LEU . 77.2 mt -134.91 136.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.196 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.722 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -113.64 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -112.57 -53.15 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 122.97 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 12.4 mt-10 -59.1 -19.38 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -58.76 -43.56 90.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.722 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -76.06 -52.84 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.589 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttt -54.58 -49.45 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.824 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -51.62 -29.48 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 m -91.54 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 mt -46.28 -69.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.875 ' HG2' HG11 ' A' ' 85' ' ' VAL . 2.9 mp0 -57.97 165.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 p -116.57 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -50.1 -26.8 4.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -44.59 82.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.046 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' A' ' 81' ' ' GLU . 47.7 t -79.92 -56.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -52.81 -22.35 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.85 -50.98 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 7.9 mtpt -49.55 -67.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.674 HD13 HD21 ' A' ' 39' ' ' LEU . 3.4 mt -116.26 140.13 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.417 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.83 125.09 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 21' ' ' PHE . 15.9 mm -85.42 129.4 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -94.49 -60.54 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -137.01 158.66 43.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -132.39 87.76 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.12 157.19 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -127.6 138.04 52.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ARG . 3.5 m120 -116.72 91.82 36.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -45.56 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.56 -14.07 61.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.25 25.37 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.723 HH22 ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -108.54 178.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.04 129.48 50.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' OE1' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 mt-10 -112.11 102.33 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mt -125.15 134.64 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -119.82 135.3 54.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.765 ' HB3' HD13 ' A' ' 5' ' ' ILE . 6.1 p90 -159.74 179.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -124.75 156.43 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 64' ' ' ALA . 6.6 p -132.11 129.5 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.53 140.92 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -141.17 179.85 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 3.6 m-20 -99.72 79.12 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 59.73 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ALA . . . 61.91 128.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.6 t -94.22 147.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.96 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.42 1.747 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.689 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.6 m 177.8 -179.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.488 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -71.99 -57.49 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -58.55 -29.53 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.34 -29.84 34.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' SER . 3.4 t -78.69 -38.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.946 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.4 -21.45 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -61.67 -64.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.65 -31.88 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 3' ' ' ILE . 35.5 mt -59.82 -30.65 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.5 t -54.75 -37.44 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.33 26.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 5' ' ' ILE . 55.4 t -59.03 -51.66 69.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.643 HD12 HD11 ' A' ' 50' ' ' LEU . 15.4 mt -72.27 -38.56 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 67.33 54.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.52 -170.33 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -70.48 135.07 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -19.25 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.695 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.9 mt-30 -98.41 173.39 6.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 48' ' ' GLN . 9.9 m 49.01 25.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.721 HD12 HG12 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -129.63 134.61 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.498 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.6 t -153.53 173.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.498 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -100.45 151.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -86.69 -55.52 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -168.41 159.49 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.414 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.575 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -139.71 169.19 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.05 129.1 3.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.49 146.72 50.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LYS . 34.6 mm -98.69 132.05 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -77.88 -42.29 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.68 -50.74 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' ILE . 4.8 ptpt -142.99 -153.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt -97.59 49.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 167.07 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.575 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -155.23 120.16 4.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.84 141.24 35.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 54' ' ' THR . . . -159.5 157.71 28.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 20' ' ' LYS . 1.2 t80 -103.56 146.52 28.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -117.35 151.65 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.47 143.84 44.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.721 HG12 HD12 ' A' ' 50' ' ' LEU . 30.7 mt -137.76 132.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.624 ' CE1' ' HA ' ' A' ' 49' ' ' VAL . 1.4 p90 -115.04 170.29 8.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -85.09 -37.04 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.73 151.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.3 -19.4 62.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 3.0 mmpt? -56.09 -42.16 76.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.723 ' HB3' HH22 ' A' ' 16' ' ' ARG . . . -77.11 -52.97 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.527 ' N ' HH21 ' A' ' 16' ' ' ARG . 0.9 OUTLIER -51.69 -46.27 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.73 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -95.36 -56.42 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.41 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -40.23 -71.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -93.17 178.83 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 p -121.41 -160.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -62.89 -15.0 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -51.09 70.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 9.0 t -82.57 -41.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -63.26 -18.53 63.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -62.6 -53.56 52.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.0 ptmt -53.97 -34.31 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.0 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.786 HD13 HD21 ' A' ' 39' ' ' LEU . 7.5 mt -134.17 141.61 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.99 127.78 39.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 mm -74.28 140.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -104.66 -56.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' ILE . 2.2 m -141.89 160.06 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -134.31 92.54 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 153.81 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -129.82 121.75 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 16' ' ' ARG . 4.4 p30 -123.1 91.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.03 -32.12 5.6 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.8 mp -40.03 -60.73 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 23.1 mt -79.35 -19.69 49.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 83.6 27.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.696 HH21 ' HA ' ' A' ' 77' ' ' MET . 4.6 mmt-85 -122.68 170.01 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.2 122.96 38.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.81 107.8 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 7' ' ' SER . 4.8 mt -125.06 131.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -104.06 145.36 30.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.646 ' CE1' ' HB2' ' A' ' 68' ' ' ALA . 31.1 p90 -155.81 -179.97 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.464 HG23 ' OE2' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -131.85 159.64 37.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.103 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.5 p -134.89 130.64 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.35 134.33 55.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.2 p90 -171.5 148.64 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.801 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -123.5 89.63 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 175.19 -80.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -169.93 156.39 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -81.72 138.47 47.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.1 m -170.62 177.96 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.518 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -68.62 -57.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -35.81 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.912 HG12 HD12 ' A' ' 39' ' ' LEU . 4.0 t -79.14 -35.73 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -67.22 -24.13 65.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 mmm -57.12 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.877 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.76 -36.75 81.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.912 HD12 HG12 ' A' ' 35' ' ' VAL . 46.7 mt -64.08 -31.24 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 HD22 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -59.8 -45.81 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.67 65.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 38' ' ' LYS . 66.2 t -67.5 -52.58 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.739 HD13 HD11 ' A' ' 70' ' ' ILE . 60.1 mt -73.68 -35.95 65.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.4 t-20 59.11 71.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.49 -173.71 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 49' ' ' VAL . 64.5 t-20 -59.5 118.58 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -26.62 44.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.2 -60.06 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 49' ' ' VAL . 13.7 m -96.11 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -134.88 134.99 41.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.1 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.518 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.2 t -111.42 143.56 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -76.13 -57.18 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.15 162.03 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.551 HD21 HG11 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -142.68 168.35 19.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -162.37 122.64 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.37 126.92 34.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.27 128.82 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -80.8 -29.94 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.94 -55.65 24.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.616 1.198 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.96 -145.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.2 mt -113.2 42.09 1.99 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' OE2' HG23 ' A' ' 22' ' ' THR . 0.3 OUTLIER -105.04 173.37 6.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.103 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.4 136.77 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.4 tt0 -124.59 140.84 52.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 55' ' ' LEU . . . -161.76 164.62 35.33 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -111.97 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.646 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -105.03 126.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HE2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -118.82 138.91 52.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 43' ' ' LEU . 46.3 mt -118.58 132.1 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 77' ' ' MET . 64.0 m-85 -90.73 -177.41 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 4.2 m-20 -133.77 -46.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -144.08 128.04 17.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.46 -29.01 67.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.55 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -71.33 -52.41 18.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.696 ' HA ' HH21 ' A' ' 16' ' ' ARG . 1.2 ttp -52.14 -46.24 65.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.36 -32.9 5.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -99.4 -65.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ALA . 9.5 mt -41.51 -70.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.937 ' HG2' HG11 ' A' ' 85' ' ' VAL . 1.2 mp0 -56.22 167.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -120.17 171.97 8.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -55.96 -18.74 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -41.34 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.937 HG11 ' HG2' ' A' ' 81' ' ' GLU . 3.6 t -76.29 -61.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -50.86 -22.78 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.8 -53.38 58.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 2.1 ptmt -56.56 -34.17 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.2 t-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.551 HD13 ' CD2' ' A' ' 39' ' ' LEU . 5.4 mt -110.89 147.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.56 127.15 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 21' ' ' PHE . 26.3 mm -81.63 133.44 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mm -96.64 -56.9 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -145.75 166.28 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.25 98.83 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.84 155.55 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -131.88 131.12 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -122.35 91.35 49.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.65 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -41.62 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.84 -13.96 60.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 69.91 53.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.472 HH22 HD12 ' A' ' 80' ' ' ILE . 3.4 mtt85 -140.16 167.18 22.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.03 127.96 55.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -116.12 101.21 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.77 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -120.24 139.19 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.768 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 2.1 p90 -158.17 -179.89 8.53 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.6 1.187 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.02 155.82 29.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 64' ' ' ALA . 4.9 p -133.12 128.25 55.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.32 144.63 51.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CZ ' ' OG1' ' A' ' 29' ' ' THR . 8.7 p90 -149.41 -173.82 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.4 m-20 -109.03 80.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 70.61 -60.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.77 112.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.517 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.72 101.1 52.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.0 m -115.33 -171.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -71.98 -57.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.3 -35.79 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -36.73 77.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 31' ' ' SER . 39.5 t -77.91 -32.81 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -53.4 -33.31 53.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.27 33.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.01 -44.48 69.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.267 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.768 HD22 ' CZ ' ' A' ' 21' ' ' PHE . 95.2 mt -55.3 -37.41 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 36' ' ' LYS . 3.1 t -56.32 -41.83 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.25 -39.46 63.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 38' ' ' LYS . 60.4 t -63.87 -48.38 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.558 HD12 HD11 ' A' ' 50' ' ' LEU . 38.0 mt -75.37 -44.43 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.6 t-20 67.91 76.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.07 -170.55 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.65 121.51 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -27.33 31.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.1 -39.58 82.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.7 56.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD11 HD12 ' A' ' 43' ' ' LEU . 2.5 tt -136.16 134.58 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.628 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -154.67 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.1 t -112.01 154.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -55.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -166.68 161.61 15.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -141.92 169.12 18.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.33 120.67 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -84.89 130.37 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.24 137.15 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.27 -42.92 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.19 -66.51 1.04 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.4 ptpt -110.43 -144.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -117.14 43.77 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.86 169.82 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.1 133.85 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.96 141.01 48.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.86 161.4 31.86 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -114.53 133.43 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . . . -104.91 137.64 42.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.541 ' NZ ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -132.0 145.39 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.406 HD11 HD13 ' A' ' 43' ' ' LEU . 24.3 mt -131.6 137.25 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CE1' ' NZ ' ' A' ' 69' ' ' LYS . 9.7 m-85 -95.0 -177.12 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -107.91 -56.12 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.94 125.07 14.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 5.8 mp0 -50.83 -21.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -50.55 71.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -76.17 -53.03 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.763 ' CE ' HD11 ' A' ' 86' ' ' LEU . 2.2 ttt -50.06 -53.44 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -46.42 -26.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -99.88 -67.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.472 HD12 HH22 ' A' ' 16' ' ' ARG . 77.6 mt -47.73 -61.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.836 ' CD ' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -46.81 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.445 ' C ' ' OE2' ' A' ' 81' ' ' GLU . 36.3 p -134.44 166.54 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -57.05 -17.57 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.8 -39.86 42.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.404 ' HB ' ' OE1' ' A' ' 81' ' ' GLU . 6.4 t -69.94 -67.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.836 HD22 ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -48.65 -27.41 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.12 -46.7 68.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ASN . 2.0 mppt? -50.05 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.628 ' HB2' HG11 ' A' ' 51' ' ' VAL . 38.8 t-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.707 HD13 HD21 ' A' ' 39' ' ' LEU . 2.0 mt -109.86 141.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 128.13 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 21' ' ' PHE . 37.0 mm -76.38 136.88 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -97.07 -59.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -139.45 170.4 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -133.96 89.93 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.28 142.62 39.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.0 p-10 -127.64 144.36 51.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.21 91.51 41.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.16 3.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -53.02 -59.85 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.911 HD13 HH21 ' A' ' 16' ' ' ARG . 33.7 mt -73.78 -11.14 60.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.54 63.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.911 HH21 HD13 ' A' ' 14' ' ' LEU . 9.7 ptt180 -177.78 142.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 6.2 ttt180 -98.63 128.11 44.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -99.52 93.46 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.458 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 1.9 mm -96.0 144.19 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -124.44 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 9.3 p90 -161.29 -179.08 7.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -136.47 162.95 31.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 11.4 p -142.47 134.52 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.6 145.95 38.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -169.07 164.15 11.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -120.49 96.91 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 75.77 -59.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.07 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -91.96 112.49 55.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.8 m -154.21 -179.01 7.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.673 HG23 HG12 ' A' ' 52' ' ' VAL . 1.8 mt -59.57 -56.93 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.87 -52.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -30.69 62.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.683 HG12 HD12 ' A' ' 39' ' ' LEU . 6.9 t -79.07 -54.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -55.76 -24.8 37.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.948 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -72.7 -33.26 66.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 13.3 mt -65.0 -30.94 71.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -55.24 -46.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -39.38 63.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 38' ' ' LYS . 39.3 t -59.97 -52.6 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.55 HD12 HD11 ' A' ' 50' ' ' LEU . 22.3 mt -78.69 -24.82 44.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 45.3 57.23 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 -172.23 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -62.69 115.69 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HB3' HG22 ' A' ' 40' ' ' VAL . 2.5 ptmt -79.44 -13.55 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -72.67 -42.16 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 m -115.23 50.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.55 HD11 HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -135.4 134.6 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -154.76 175.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.673 HG12 HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -107.98 142.0 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -57.07 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -177.28 165.28 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -133.52 169.07 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.44 122.31 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -63.94 147.03 52.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.9 mm -93.34 134.16 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.87 -33.43 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.41 34.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.153 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.0 ptpt -148.77 -153.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.4 mt -90.37 40.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.62 161.67 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.226 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -145.42 130.71 18.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.8 148.34 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.1 167.01 37.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.578 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 1.1 t80 -115.05 136.72 52.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.07 53.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -124.73 148.14 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.494 HD11 HD13 ' A' ' 43' ' ' LEU . 23.7 mt -130.37 130.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 1.3 m-85 -87.9 141.15 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.15 -29.83 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.84 123.58 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.46 -45.93 84.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.84 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -54.2 -46.1 72.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.621 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.2 -47.03 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.9 m -80.76 -57.24 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 8.3 mt -39.96 -65.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.681 ' HG3' HG21 ' A' ' 85' ' ' VAL . 3.0 mm-40 -87.51 -174.81 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -125.27 -163.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.49 -12.42 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.12 -50.69 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.681 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -80.93 -41.27 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -64.44 -19.34 65.48 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -62.38 -52.94 61.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 2.4 ptmt -56.09 -34.25 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.585 ' HB2' HG11 ' A' ' 51' ' ' VAL . 18.5 t-20 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.458 HD13 HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -130.67 142.4 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.26 127.19 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.029 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.569 HD13 ' CB ' ' A' ' 21' ' ' PHE . 11.5 mm -86.28 132.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.14 -64.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.395 1.06 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -133.12 162.04 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -134.05 96.63 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 159.09 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -129.48 140.93 51.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -128.39 91.14 44.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -36.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -39.92 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.52 -12.58 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.05 34.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.61 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 18.9 mtm105 -117.94 171.65 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.16 142.26 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -131.94 98.13 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.228 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 7' ' ' SER . 3.9 mt -124.16 142.9 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -112.6 142.19 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 9.7 p90 -158.45 -179.62 8.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -137.98 156.14 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.909 HG13 ' HB3' ' A' ' 64' ' ' ALA . 6.7 p -127.49 129.94 70.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -117.26 126.07 52.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.85 146.7 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.871 ' HB3' HD13 ' A' ' 62' ' ' LEU . 1.3 p-10 -127.4 93.27 3.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.12 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.53 155.66 39.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -76.22 120.9 83.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m -116.06 172.72 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -63.87 -54.77 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' CD ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -50.91 -41.5 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -28.84 66.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG12 HD12 ' A' ' 39' ' ' LEU . 5.3 t -79.23 -41.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.853 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -64.2 -23.84 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.11 -64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.88 -37.17 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.662 HD12 HG12 ' A' ' 35' ' ' VAL . 13.5 mt -57.95 -32.12 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 36' ' ' LYS . 5.3 t -68.09 -41.57 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.18 -25.76 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 38' ' ' LYS . 55.7 t -81.87 -50.56 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 70' ' ' ILE . 89.0 mt -73.64 -37.59 65.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.8 t-20 70.49 64.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.54 -174.37 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.25 138.66 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.846 ' HB3' HG21 ' A' ' 40' ' ' VAL . 1.9 ptmt -93.81 -13.02 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -38.22 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -117.63 47.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.621 HD12 HG12 ' A' ' 70' ' ' ILE . 6.1 tt -136.64 135.87 38.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.6 164.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.67 144.39 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -57.22 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -171.58 160.99 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -138.04 169.1 18.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.2 120.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.03 145.76 55.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 30.3 mm -92.25 132.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -79.63 -30.76 41.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.72 -51.55 48.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -142.1 -154.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.2 mt -92.3 39.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 1.2 tt0 -98.04 167.35 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.909 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -155.11 120.24 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.4 tt0 -101.71 141.17 34.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -159.33 165.1 34.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -113.11 138.16 50.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.97 146.86 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.49 147.96 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.761 HD11 HD13 ' A' ' 43' ' ' LEU . 35.5 mt -136.68 139.07 45.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.61 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -114.25 179.85 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -106.03 -38.96 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.65 146.79 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 49.0 mt-10 -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -61.54 -42.7 99.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -79.38 -50.99 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 10.7 ttp -55.18 -48.39 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.808 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -46.98 -50.97 18.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 80' ' ' ILE . 13.2 m -75.01 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' THR . 7.3 mt -40.25 -66.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.74 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.6 mm-40 -89.51 -172.46 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.269 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.431 ' O ' HD22 ' A' ' 86' ' ' LEU . 42.7 p -122.36 -164.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.91 -26.31 64.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.37 -46.39 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.74 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -79.12 -46.17 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -61.13 -19.48 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -63.01 -53.39 54.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 1.6 ptmt -62.01 -33.82 75.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 18.3 t30 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' THR . 11.3 mt -134.73 142.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 125.59 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 109.966 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.444 HD11 HG11 ' A' ' 42' ' ' VAL . 28.4 mm -76.36 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.469 HG21 ' HE3' ' A' ' 20' ' ' LYS . 14.3 mm -100.52 -56.28 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.1 m -146.6 156.33 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.072 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -134.26 90.56 2.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 158.63 15.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.3 130.83 45.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' ARG . 19.7 m120 -122.9 91.49 49.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.71 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.767 HD13 HH21 ' A' ' 16' ' ' ARG . 9.1 mt -65.77 -15.57 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.57 40.76 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.767 HH21 HD13 ' A' ' 14' ' ' LEU . 24.9 mtm105 -128.31 170.78 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 139.34 54.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.01 100.42 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.627 1.205 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 7' ' ' SER . 5.8 mt -124.98 127.71 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 148.39 26.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.988 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 33.9 p90 -161.21 -179.8 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -135.5 147.89 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.709 ' CG1' HD21 ' A' ' 55' ' ' LEU . 7.4 p -129.99 131.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.093 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 1.4 t -119.98 155.51 32.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 32.1 p90 -169.34 166.64 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.8 m-20 -97.45 83.62 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 71.8 -59.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.77 108.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.4 109.8 60.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.373 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.675 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.2 m -122.75 -174.84 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -68.42 -57.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.81 -35.37 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.5 OUTLIER -74.77 -27.93 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 31' ' ' SER . 3.2 t -81.29 -55.21 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -51.29 -25.91 6.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.435 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -51.53 -50.93 59.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -49.47 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.988 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 83.9 mt -51.43 -35.57 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.3 t -55.18 -43.02 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.75 -40.07 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 HD11 ' A' ' 5' ' ' ILE . 91.6 t -61.23 -52.69 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -41.23 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.3 t-20 67.56 60.18 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.59 -170.19 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 42.1 t-20 -72.99 91.56 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.72 -23.22 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CD ' ' OD1' ' A' ' 46' ' ' ASN . 34.2 mt-30 -58.24 -71.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 m -88.24 55.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 70' ' ' ILE . 6.6 tt -136.4 136.86 39.93 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.6 t -153.46 174.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.1 t -111.03 154.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -57.07 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -171.52 168.26 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.709 HD21 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -147.02 167.75 23.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.3 122.85 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.484 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 37.3 tt0 -80.72 117.87 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.8 mt -63.94 146.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -92.36 -34.29 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.92 -60.06 2.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -114.8 -111.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 61' ' ' LYS . 18.4 mt -149.7 21.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.519 ' OE1' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -92.38 176.47 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -151.91 150.59 30.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -124.93 142.5 51.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.3 157.81 30.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 1.6 t80 -107.99 143.67 36.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -111.43 140.02 46.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 144.41 50.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.629 ' CD1' HD12 ' A' ' 50' ' ' LEU . 24.9 mt -138.83 134.58 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.6 p90 -114.27 151.06 33.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.54 -35.19 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -151.19 141.49 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.06 -31.19 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.34 -43.87 71.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.93 9.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.194 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 ttp -53.59 -50.45 65.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.952 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.42 -32.24 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 80' ' ' ILE . 5.2 m -88.57 -50.03 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 79' ' ' THR . 68.7 mt -40.07 -67.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.694 ' HG3' HG21 ' A' ' 85' ' ' VAL . 1.4 mm-40 -98.91 -176.23 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 110.228 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -103.98 -167.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -68.23 -12.22 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.246 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -62.68 -50.73 70.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.093 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.694 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -75.97 -40.42 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.952 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -67.59 -22.77 65.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.0 -45.7 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -53.1 -69.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.423 ' HA ' HG11 ' A' ' 51' ' ' VAL . 46.7 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 23' ' ' VAL . 2.6 mt -112.55 140.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.08 126.74 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.2 mm -80.21 129.53 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.4 mm -92.65 -58.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -137.37 156.18 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -133.9 91.05 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.46 155.89 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -131.72 134.03 45.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -125.74 91.38 48.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -40.34 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.05 -13.83 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.4 35.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.186 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.732 ' NH2' ' H ' ' A' ' 72' ' ' ASN . 0.7 OUTLIER -117.54 172.84 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.09 127.23 26.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -120.45 107.45 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 7' ' ' SER . 5.7 mt -125.12 127.72 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.36 143.41 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.663 ' HE1' ' HB2' ' A' ' 68' ' ' ALA . 29.7 p90 -160.5 -179.53 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -132.2 148.2 52.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 64' ' ' ALA . 9.7 p -121.92 129.87 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 135.88 54.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -167.36 146.1 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.45 ' HA ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -122.46 92.51 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.08 -78.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.94 159.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.1 116.49 59.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -113.84 174.42 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.068 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.22 -57.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.97 -29.13 64.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -75.13 -34.28 61.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.77 HG12 ' CD1' ' A' ' 39' ' ' LEU . 16.4 t -79.71 -47.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.47 -28.27 5.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.04 -56.16 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -45.71 60.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.77 ' CD1' HG12 ' A' ' 35' ' ' VAL . 64.8 mt -49.61 -39.16 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.2 t -55.11 -42.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -40.29 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.81 -52.53 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 50' ' ' LEU . 47.8 mt -73.44 -41.12 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.2 t-20 70.78 54.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.3 -172.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.35 122.45 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.38 -37.83 39.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.628 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.8 mt-30 -86.89 -179.18 6.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 48' ' ' GLN . 16.7 m 47.96 31.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD12 HG12 ' A' ' 70' ' ' ILE . 2.7 tt -135.45 133.45 38.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 50' ' ' LEU . 1.3 t -154.39 174.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.492 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.9 t -104.57 150.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -80.49 -55.97 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.69 164.89 12.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -144.59 168.05 21.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.25 117.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -65.08 143.36 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.409 HG13 ' HB3' ' A' ' 63' ' ' GLU . 5.9 mm -91.45 133.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -78.76 -44.56 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.1 -57.44 2.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.3 ptpt -137.31 -156.32 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 26' ' ' ASP . 1.8 mt -91.98 45.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HB3' HG13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -104.47 163.69 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -151.27 130.4 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.03 140.38 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.69 38.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -116.56 144.48 44.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.067 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.663 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -103.73 158.77 16.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.617 ' CE ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -145.11 148.34 33.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.638 HG12 HD12 ' A' ' 50' ' ' LEU . 73.3 mt -144.08 128.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' LYS . 1.2 m-85 -107.15 156.01 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.732 ' H ' ' NH2' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -75.44 -73.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -128.11 127.91 43.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 -24.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 73' ' ' ASP . 1.6 mtmt -56.14 -49.59 73.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.66 -53.08 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.1 ttp -51.77 -44.82 63.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.28 -30.08 11.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 m -99.3 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 81' ' ' GLU . 14.7 mt -44.75 -74.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.86 ' HG2' HG11 ' A' ' 85' ' ' VAL . 2.6 mp0 -56.1 175.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.7 p -129.72 177.82 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -25.44 60.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -41.81 98.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.86 HG11 ' HG2' ' A' ' 81' ' ' GLU . 2.9 t -77.92 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.57 -24.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -56.84 -47.32 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.3 ptmt -62.63 -34.57 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.407 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.454 0.169 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.48 101.19 9.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.441 HG13 HG23 ' A' ' 23' ' ' VAL . 4.9 mt -108.18 146.83 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.73 127.59 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mm -80.58 132.0 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.0 mm -95.13 -58.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -140.83 162.83 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 146.34 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -120.39 125.97 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 3.7 m120 -116.59 91.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.13 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.45 -63.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 2.1 mt -92.21 25.32 2.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.37 38.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 22.0 mtm-85 -114.2 169.68 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -128.42 124.31 35.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -106.39 100.33 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.393 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.19 115.1 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 144.16 28.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.564 1.165 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.659 ' HE2' ' HB2' ' A' ' 68' ' ' ALA . 37.1 p90 -160.07 179.97 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.35 150.14 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 HG13 ' A' ' 3' ' ' ILE . 7.3 p -134.46 130.01 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -131.53 145.29 51.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 15.8 p90 -154.38 158.5 40.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.3 m-20 -88.05 78.98 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 75.8 -57.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.25 112.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.415 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.89 106.36 55.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.817 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.5 m -119.41 -169.09 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -71.73 -57.15 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.654 ' NZ ' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -61.44 -41.71 97.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.11 -50.9 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 31' ' ' SER . 72.2 t -63.33 -31.29 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -61.38 -34.95 76.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -61.8 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.077 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -47.51 73.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.806 HD12 HG12 ' A' ' 35' ' ' VAL . 19.9 mt -51.51 -35.1 38.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.697 HG21 ' CB ' ' A' ' 47' ' ' LYS . 3.4 t -64.9 -42.21 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.33 61.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -77.14 -51.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.74 -36.06 65.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.8 t-20 65.71 61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.06 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.29 -177.39 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -64.59 116.33 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.697 ' CB ' HG21 ' A' ' 40' ' ' VAL . 10.8 ptmt -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.8 m -96.55 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 70' ' ' ILE . 4.8 tt -134.31 134.84 42.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.805 HG11 ' OD1' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -153.32 175.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.2 t -108.8 156.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.34 -56.97 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.16 167.59 12.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -151.62 171.32 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 128.85 10.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.79 147.13 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.9 mm -94.2 140.61 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -88.0 -40.23 14.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.27 2.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.2 ptpt -120.55 -154.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.4 mt -103.47 53.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -119.44 158.48 26.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.225 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -146.58 126.4 13.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.93 141.95 35.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.41 172.62 36.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -125.05 138.21 54.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.659 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -103.46 161.71 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 149.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.605 HD11 HD12 ' A' ' 50' ' ' LEU . 77.6 mt -144.74 141.99 23.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.775 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 2.0 t80 -118.19 -175.05 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -105.78 -55.78 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.48 131.63 40.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.15 -19.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -50.3 73.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.775 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -71.82 -52.8 15.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.453 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 4.5 ttp -51.48 -46.06 62.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.644 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -53.85 -28.79 37.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -92.88 -61.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 ' OH ' ' A' ' 71' ' ' TYR . 13.6 mt -50.45 -79.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.915 ' HG2' HG11 ' A' ' 85' ' ' VAL . 3.1 mp0 -45.8 171.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -118.37 168.28 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.77 -21.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.915 HG11 ' HG2' ' A' ' 81' ' ' GLU . 57.2 t -70.62 -42.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -72.14 -21.1 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.67 -51.6 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.231 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HZ3' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -48.94 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.805 ' OD1' HG11 ' A' ' 51' ' ' VAL . 1.1 m-20 -41.09 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -62.73 163.12 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.6 mm -57.67 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.81 167.89 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -110.51 -179.98 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.671 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 11.6 pt-20 -88.14 -158.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 164.53 86.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -40.49 -65.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -166.68 162.87 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.59 -49.31 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.2 m -77.64 137.77 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.29 168.9 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 57.62 164.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.54 0.209 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.03 110.7 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 22' ' ' THR . 6.5 mt -111.29 143.72 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.03 126.73 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 HD11 ' CG1' ' A' ' 42' ' ' VAL . 16.0 mm -79.43 132.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -91.73 -58.61 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -142.22 163.39 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -134.07 94.93 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 157.41 17.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -130.94 134.61 46.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 11.1 m120 -122.4 91.41 49.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.16 2.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mp -44.92 -62.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . 11.7 mt -92.41 24.33 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' HG2' ' ND2' ' A' ' 72' ' ' ASN . 0.7 OUTLIER 38.08 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . 7.3 mtm-85 -109.59 177.54 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 128.68 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.268 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -116.64 103.21 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.75 127.94 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 146.12 30.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.778 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 30.0 p90 -160.55 -179.97 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -133.6 160.84 36.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.911 HG13 ' HB3' ' A' ' 64' ' ' ALA . 3.3 p -133.12 129.33 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -110.97 141.42 44.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -177.05 152.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -131.79 93.13 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 163.04 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -164.12 141.58 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -78.16 143.56 65.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HG2' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.0 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.738 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m -100.7 -174.7 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.09 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.606 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -72.13 -56.43 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.92 -43.99 97.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -32.75 69.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.958 HG12 HD12 ' A' ' 39' ' ' LEU . 16.5 t -78.4 -45.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.34 -29.62 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -57.24 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -74.77 -48.58 24.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.958 HD12 HG12 ' A' ' 35' ' ' VAL . 19.7 mt -50.99 -33.69 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.5 t -63.05 -44.8 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.21 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.585 ' CG1' HD11 ' A' ' 5' ' ' ILE . 91.4 t -72.71 -52.58 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD12 HD11 ' A' ' 50' ' ' LEU . 46.3 mt -73.9 -27.49 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 52.65 58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 -172.75 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.41 ' HB3' HG22 ' A' ' 49' ' ' VAL . 12.5 t-20 -66.19 102.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.77 -24.62 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.09 -47.58 85.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 19.0 m -110.04 57.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.4 tt -135.89 135.49 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG11 ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -153.59 172.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.9 t -107.1 151.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -88.7 -57.03 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.51 160.81 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -135.59 171.41 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.14 131.62 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -76.54 140.36 41.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 17.3 mm -87.42 132.21 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -77.92 -47.0 19.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.71 -51.05 1.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.8 ptpt -139.01 -152.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.6 mt -98.66 40.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -96.19 172.77 7.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.911 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -158.51 121.22 3.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.8 143.68 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.226 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.55 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -156.19 161.88 31.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.468 ' CD2' ' C ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -116.25 131.9 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -104.13 129.0 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -116.38 142.84 46.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -135.84 135.8 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 4.4 p90 -113.45 166.99 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -73.29 -55.21 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.42 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.61 150.67 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.222 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.5 mt-10 -57.7 -20.7 35.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -60.42 -50.3 74.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.93 -52.91 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 ttp -50.42 -51.32 47.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.636 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.64 -28.95 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 m -96.7 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 81' ' ' GLU . 13.9 mt -44.15 -73.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 1.002 ' HG2' HG11 ' A' ' 85' ' ' VAL . 1.5 mp0 -47.31 172.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' VAL . 19.7 p -123.17 163.37 20.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -48.38 -26.74 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -65.14 -38.49 90.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 1.002 HG11 ' HG2' ' A' ' 81' ' ' GLU . 14.0 t -75.21 -65.6 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -48.26 -24.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -46.54 80.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.8 ptmt -62.78 -34.72 77.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.642 ' OD1' HG11 ' A' ' 51' ' ' VAL . 16.4 m-80 -79.09 59.66 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.8 152.89 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.73 -78.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.89 166.78 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -105.07 -179.39 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 25.4 pt-20 -88.97 -165.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 176.33 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.18 -64.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -171.73 164.36 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.59 -51.27 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.74 168.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.6 -61.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.45 168.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.289 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.472 0.177 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.05 93.08 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' A' ' 21' ' ' PHE . 10.3 mt -120.42 144.56 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.96 127.33 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 21' ' ' PHE . 31.0 mm -80.18 130.23 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.7 mm -89.74 -58.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -145.44 164.56 31.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.25 99.36 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 154.66 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -132.94 131.97 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ARG . 44.0 m-80 -127.8 91.45 45.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.51 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.16 -14.48 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.5 40.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -129.0 160.72 31.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -130.79 126.52 36.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 15.6 mt-10 -117.45 117.86 30.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.42 123.0 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.66 136.99 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 39' ' ' LEU . 8.7 p90 -159.69 -179.67 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -131.71 156.05 46.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.783 ' CG1' HD11 ' A' ' 55' ' ' LEU . 1.9 p -138.31 130.53 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.98 156.73 42.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.961 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.56 -172.86 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.12 84.9 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.32 154.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.96 99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -84.5 147.13 48.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m -110.34 179.97 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -69.42 -55.67 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -62.17 -30.63 71.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 0.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.1 OUTLIER -77.35 -28.33 52.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 31' ' ' SER . 10.9 t -81.33 -55.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.655 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -51.29 -25.34 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -52.05 -49.97 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.7 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.904 HD21 ' CE2' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -53.8 -34.04 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.5 t -55.17 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 -43.11 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.53 -51.33 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -75.18 -31.95 61.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.2 t-20 56.57 50.66 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.71 -170.67 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.86 98.56 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.53 -23.6 58.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.84 -59.73 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.1 m -99.25 53.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.677 HD12 ' CD1' ' A' ' 70' ' ' ILE . 1.8 tt -135.8 135.25 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 89' ' ' ASN . 1.4 t -153.48 175.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.523 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -106.36 150.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -55.77 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.86 160.87 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD11 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -134.69 170.95 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -161.95 122.07 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.85 145.75 55.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 23.1 mm -93.55 133.15 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' GLY . 56.2 t80 -76.04 -49.31 17.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -37.16 -61.0 1.02 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.2 ptpt -127.8 -153.03 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 0.713 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -99.93 44.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -98.86 172.21 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.641 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -155.48 118.07 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.2 tt0 -101.82 143.03 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.58 160.25 32.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.527 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -105.25 134.28 48.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.38 128.46 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.185 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' NZ ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -128.19 145.34 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.677 ' CD1' HD12 ' A' ' 50' ' ' LEU . 12.5 mt -136.76 143.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -101.27 178.45 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.99 -41.24 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.54 133.91 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.2 mt-10 -53.21 -19.76 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 2.4 mmpt? -56.54 -50.63 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -75.91 -53.05 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.652 ' CG ' HD21 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -50.08 -44.46 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -54.18 -27.77 36.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.8 m -99.96 -65.68 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 81' ' ' GLU . 16.2 mt -51.86 -81.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.743 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.75 148.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 p -99.19 162.68 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -53.65 -20.53 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -50.53 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.743 HG11 ' HG2' ' A' ' 81' ' ' GLU . 50.0 t -61.73 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.652 HD21 ' CG ' ' A' ' 77' ' ' MET . 23.7 mt -74.41 -31.24 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -49.18 -43.33 42.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.52 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.564 ' HB2' HG11 ' A' ' 51' ' ' VAL . 2.9 t30 -84.05 50.99 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.55 163.89 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.02 -81.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 177.16 6.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.25 175.49 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.5 pt-20 -88.5 -160.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.092 . . . . 0.0 110.226 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 167.28 67.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 97' ' ' ALA . 45.2 mt-10 -60.36 -66.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' GLU . . . 61.95 124.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -169.95 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.68 167.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.26 137.58 32.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 73.43 168.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.517 0.199 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.13 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 22' ' ' THR . 9.9 mt -132.29 146.7 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 127.09 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.546 HD13 ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm -81.89 134.11 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mm -94.05 -61.83 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -135.7 158.53 44.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.27 98.8 4.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 158.76 17.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -130.43 135.52 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ARG . 37.0 m-80 -129.99 91.51 39.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.53 2.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.22 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.92 -9.16 54.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.06 47.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.586 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -125.99 169.49 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -123.96 142.43 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.79 91.33 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.3 mt -122.52 117.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.16 137.81 32.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.869 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 18.9 p90 -154.16 -179.77 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -138.52 160.02 40.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.931 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.8 p -132.25 131.04 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.76 129.46 56.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -169.71 147.98 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.721 ' HA ' HD22 ' A' ' 62' ' ' LEU . 3.1 p30 -125.91 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.93 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.75 143.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 5.5 t -73.78 130.22 83.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.99 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.0 m -159.46 -178.28 7.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.44 -53.4 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.12 -39.38 89.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -64.8 -34.68 78.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.8 HG12 HD12 ' A' ' 39' ' ' LEU . 24.0 t -79.75 -45.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -52.56 -28.93 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -51.58 -54.47 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -71.85 -51.07 24.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.869 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 17.8 mt -51.46 -33.36 30.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.7 t -59.76 -42.92 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.85 64.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 38' ' ' LYS . 39.8 t -67.35 -51.01 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.97 -33.11 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.6 t-20 56.31 64.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.69 -170.65 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.07 100.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -62.67 -23.94 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.79 -53.73 54.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.4 m -105.65 58.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 70' ' ' ILE . 2.1 tt -136.31 135.64 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.53 173.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.44 148.27 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -56.93 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.82 161.64 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -136.5 168.85 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.74 125.91 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.1 145.44 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 27.8 mm -96.35 132.05 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -79.26 -46.55 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.98 -49.18 2.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.4 ptpt -143.66 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 26' ' ' ASP . 2.0 mt -98.6 50.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.8 OUTLIER -107.36 168.16 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.931 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -156.51 119.79 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.91 144.02 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.0 147.02 12.14 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -94.66 140.65 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.606 0.827 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 141.85 36.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -133.17 141.46 48.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 50' ' ' LEU . 36.3 mt -140.14 138.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.636 ' OH ' HD12 ' A' ' 80' ' ' ILE . 2.6 t80 -113.73 -175.59 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -106.82 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 124.4 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 37.4 mt-10 -64.45 -19.52 65.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.14 -46.98 84.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -52.97 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -53.09 -45.68 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 111.053 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.636 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -50.09 -30.11 10.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.9 m -92.49 -61.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.636 HD12 ' OH ' ' A' ' 71' ' ' TYR . 6.0 mt -39.35 -67.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.701 ' HG3' HG21 ' A' ' 85' ' ' VAL . 3.1 mm-40 -81.96 -173.39 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 p -129.81 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.31 -21.01 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -55.8 -50.81 69.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.701 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -82.84 -46.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -57.45 -21.15 35.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -58.55 -52.6 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mppt? -49.02 -57.86 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -81.81 52.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 164.7 0.77 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.7 mm -92.88 -63.39 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.62 173.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -93.34 -174.06 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 14.8 pt-20 -86.01 -162.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 178.55 94.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 95' ' ' ALA . 23.9 mt-10 -38.63 -64.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.45 123.8 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 99' ' ' VAL . 13.2 tt0 -170.86 -58.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 98' ' ' GLU . 35.0 m 48.24 179.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -173.42 57.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 64.87 162.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 tpp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.473 0.178 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.07 138.38 11.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.589 HD13 ' CD2' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -112.35 148.57 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -135.8 128.63 31.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 136.69 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.39 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -136.16 164.57 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -133.92 92.64 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.97 16.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -143.04 119.96 11.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -119.92 91.81 45.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.577 1.83 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.9 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.33 -12.47 42.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 67.34 58.25 0.55 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -179.17 129.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.4 ttt180 -84.88 132.58 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -115.92 114.77 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' SER . 5.6 mt -121.91 144.14 32.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.79 ' HZ3' ' CD ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -108.05 140.74 40.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.842 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 6.5 p90 -156.4 -179.15 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.444 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -143.82 156.81 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 3' ' ' ILE . 10.5 p -134.35 132.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.08 139.13 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 27' ' ' ALA . 11.8 p90 -177.09 -177.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -104.63 87.82 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.602 ' O ' ' CE1' ' A' ' 25' ' ' PHE . . . 48.28 -102.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . 38.78 74.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 102.81 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.771 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.86 162.07 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.694 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.7 mt -68.46 -55.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -30.36 70.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.32 -33.63 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.208 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 31' ' ' SER . 25.2 t -77.6 -38.89 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -56.53 -29.73 62.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -59.73 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.87 -48.98 56.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.842 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 20.7 mt -51.53 -33.8 33.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.1 t -61.33 -44.16 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.67 62.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 38' ' ' LYS . 93.2 t -70.11 -52.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.8 -27.59 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.2 t-20 50.96 65.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.49 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' HG22 ' A' ' 49' ' ' VAL . 47.8 t-20 -66.53 109.39 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -68.56 -21.56 64.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.94 -53.03 61.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 33.2 m -109.01 63.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 HG23 ' A' ' 40' ' ' VAL . 6.2 tt -136.25 135.33 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -153.81 173.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.694 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.9 t -108.31 150.66 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -57.26 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.77 157.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -134.3 168.83 18.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 133.76 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -74.41 138.83 43.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 28.5 mm -85.2 134.11 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -80.85 -36.73 31.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.77 -45.34 24.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -146.4 -150.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mt -98.86 37.77 1.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -95.1 171.86 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.29 122.08 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.79 ' CD ' ' HZ3' ' A' ' 20' ' ' LYS . 4.3 tt0 -101.73 143.49 31.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.554 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.28 167.01 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -120.38 138.19 53.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.26 131.25 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 144.76 49.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' ARG . 32.4 mt -137.4 134.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.55 ' CZ ' ' HE1' ' A' ' 77' ' ' MET . 3.1 p90 -114.19 148.11 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -81.92 -42.26 19.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -134.06 126.3 29.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -24.04 67.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' HD3' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.15 -45.0 71.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -52.8 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.55 ' HE1' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttp -54.44 -52.47 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.748 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.27 -30.63 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -90.47 -63.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 81' ' ' GLU . 11.5 mt -45.47 -73.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.887 ' HG2' HG11 ' A' ' 85' ' ' VAL . 6.5 mp0 -51.87 179.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -124.1 -158.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -83.2 -24.57 32.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -38.96 81.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.887 HG11 ' HG2' ' A' ' 81' ' ' GLU . 14.8 t -75.22 -65.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -47.71 -24.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -56.46 -52.36 65.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -65.25 -33.55 76.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.7 m-20 -70.08 109.84 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -41.81 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.6 mm -41.73 -60.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.71 149.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -172.87 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 110.266 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.634 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 16.0 pt-20 -93.52 -157.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 168.18 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.242 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -46.61 -66.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 61.29 151.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -168.1 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 99' ' ' VAL . 35.9 m -49.72 111.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.12 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -166.66 172.89 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.227 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.539 0.209 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.31 108.14 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.41 143.46 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.49 128.04 42.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 42' ' ' VAL . 30.6 mm -78.49 135.45 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mm -99.11 -57.89 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -144.95 160.54 41.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.12 94.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 158.15 16.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -126.3 130.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.511 ' ND2' ' OE2' ' A' ' 18' ' ' GLU . 3.3 m120 -120.82 91.54 47.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.11 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.92 -15.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.64 30.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 19.1 mtm105 -115.04 179.11 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 126.02 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' OE2' ' ND2' ' A' ' 11' ' ' ASN . 27.4 mt-10 -104.64 101.74 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -124.89 121.4 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 146.34 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.76 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 37.2 p90 -158.65 -179.97 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.06 161.46 28.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.728 HG13 ' HB3' ' A' ' 64' ' ' ALA . 1.5 p -139.17 122.44 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -112.79 138.46 49.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -173.48 147.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.716 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.07 84.59 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.43 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -173.72 156.1 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.4 127.15 91.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -90.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -160.38 162.23 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 mt -60.2 -53.99 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 1.4 tttt -57.57 -49.57 75.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.33 -34.64 68.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.2 t -78.1 -33.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.83 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -66.37 -27.98 68.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.94 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.1 -36.87 83.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.76 HD21 ' CZ ' ' A' ' 21' ' ' PHE . 38.0 mt -55.34 -37.0 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 36' ' ' LYS . 75.8 t -63.8 -42.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.27 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 5' ' ' ILE . 41.6 t -76.56 -52.63 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.26 -37.65 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.9 t-20 70.16 56.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.27 -170.32 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -61.86 141.33 58.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.566 ' CB ' HG21 ' A' ' 40' ' ' VAL . 12.4 ptmt -102.64 -22.08 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.22 -51.17 48.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.218 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 49' ' ' VAL . 13.0 m -99.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD12 ' CD1' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -136.16 134.53 38.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.77 174.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' H ' HG12 ' A' ' 51' ' ' VAL . 2.1 t -106.24 156.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -57.28 2.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -163.58 162.32 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 171.96 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -157.4 126.16 5.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -90.18 128.55 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -71.95 134.81 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -84.26 -43.17 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.65 -54.88 4.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.0 -145.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.7 mt -116.0 43.31 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -106.03 172.08 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.728 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.38 136.25 9.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.1 tt0 -122.01 139.82 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.01 35.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 11.9 t80 -119.35 138.78 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.576 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -103.67 158.42 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' NZ ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -139.82 150.21 44.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.658 ' CD1' HD12 ' A' ' 50' ' ' LEU . 72.8 mt -142.7 136.14 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.582 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -109.39 -177.19 3.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -108.29 -42.55 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.97 124.4 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.64 -19.87 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 2.6 mmpt? -58.77 -43.59 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.35 -51.78 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.569 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 6.5 ttp -54.74 -49.56 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.619 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.32 -50.74 21.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -73.65 -61.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.46 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 81' ' ' GLU . 7.5 mt -40.16 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.66 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.6 mm-40 -84.88 -174.44 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -130.55 -169.76 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -61.64 -19.72 62.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -50.93 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.66 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -78.92 -42.71 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -64.51 -19.66 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -62.72 -53.14 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -62.52 -33.41 74.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' HA ' HG11 ' A' ' 51' ' ' VAL . 15.8 m-20 -82.22 102.23 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -66.38 160.11 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mm -121.59 -84.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -177.92 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -126.83 177.18 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 13.2 pt-20 -84.35 -162.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 171.17 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -41.43 -62.93 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -168.35 158.89 10.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -168.03 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.86 134.2 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -172.73 169.85 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -138.3 163.34 32.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' CB ' ' HE3' ' A' ' 38' ' ' LYS . 22.3 tpp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.522 0.201 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.61 111.15 22.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.52 HG13 HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -121.43 146.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.58 128.83 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.9 mm -76.67 141.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.4 mm -105.6 -57.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -139.96 162.8 34.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 9.3 p-10 -134.04 87.37 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.98 154.73 17.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.31 132.49 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ARG . 8.2 m120 -122.27 91.43 49.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.43 -69.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.633 HD22 HH21 ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.14 -18.63 62.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 80.81 33.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.633 HH21 HD22 ' A' ' 14' ' ' LEU . 31.2 mtm180 -126.22 166.05 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.12 126.19 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.45 106.69 16.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.18 132.99 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.636 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.75 142.26 44.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.188 . . . . 0.0 109.369 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 1.205 ' CE1' HD21 ' A' ' 39' ' ' LEU . 3.0 p90 -156.6 -179.62 8.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.26 159.08 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.577 ' CG1' HD11 ' A' ' 55' ' ' LEU . 7.5 p -146.34 132.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -133.65 150.49 51.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -160.72 166.22 29.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -118.27 103.34 9.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . 63.36 155.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' ALA . . . 72.81 100.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -96.8 115.65 65.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.69 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.8 m -127.72 177.76 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.441 HG23 ' HB ' ' A' ' 52' ' ' VAL . 2.0 mt -65.46 -52.82 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -27.64 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.842 HG12 HD12 ' A' ' 39' ' ' LEU . 3.5 t -78.94 -38.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.395 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.03 -27.32 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -56.2 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.741 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.39 -50.73 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.205 HD21 ' CE1' ' A' ' 21' ' ' PHE . 16.5 mt -51.35 -34.79 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.6 t -59.58 -43.16 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.25 64.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 38' ' ' LYS . 21.2 t -67.47 -52.52 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -74.15 -33.0 63.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.2 t-20 57.13 63.24 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.38 -175.3 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.39 103.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HB2' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.95 -25.45 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -58.88 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 49' ' ' VAL . 23.0 m -91.82 52.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.7 OUTLIER -133.42 135.53 44.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -153.41 175.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.45 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -105.53 146.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -170.81 161.52 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.585 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -138.26 172.43 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.23 123.87 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.9 145.08 48.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 21.3 mm -93.24 131.67 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -76.16 -48.59 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.3 -59.73 1.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.8 ptpt -128.49 -154.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.5 mt -98.43 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -96.84 170.41 9.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.585 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -158.23 116.58 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.3 tt0 -101.99 142.3 33.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.79 172.32 35.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.636 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.2 t80 -118.22 129.72 55.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . . . -103.94 128.55 51.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.618 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -117.03 150.37 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.1 mt -123.79 136.36 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.618 ' CE2' ' NZ ' ' A' ' 69' ' ' LYS . 45.8 m-85 -95.99 174.09 7.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.72 -44.09 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.52 125.71 7.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.23 -19.66 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -49.91 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -72.55 -53.1 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 1.2 ttp -49.99 -45.11 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.32 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -99.85 -65.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.3 mt -40.42 -71.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HG3' HG21 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -57.95 175.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -129.01 168.12 16.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.41 -23.55 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -48.01 80.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.92 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 81' ' ' GLU . 95.7 t -71.09 -46.2 68.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.49 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -63.57 -53.71 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -67.74 -32.8 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 33.4 t30 -70.15 104.34 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.222 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.57 163.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -41.1 -72.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 14.4 tp10 65.35 -90.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 1.7 pt-20 -88.15 -174.18 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 16.4 pt-20 -90.4 -159.84 0.65 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.158 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 165.23 96.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -39.06 -62.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.239 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.18 131.35 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -55.29 -56.21 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 98' ' ' GLU . 34.9 m 48.2 -179.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -172.72 179.59 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -128.35 163.02 25.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.479 0.18 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.71 141.46 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.606 HD13 ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -119.29 148.85 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.63 130.65 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.868 HD11 ' CG1' ' A' ' 42' ' ' VAL . 21.6 mm -79.7 134.88 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.19 -61.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -135.15 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.42 97.7 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 150.73 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -134.05 125.09 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.76 91.58 26.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.48 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.5 -59.95 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 mt -92.39 25.03 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 38.06 49.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.542 HH21 ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -130.97 172.92 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' LYS . 1.9 ttt180 -138.58 124.8 20.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.17 114.48 24.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.42 1.075 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.38 122.09 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 1.5 tppt? -91.32 134.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 15.0 p90 -146.72 -179.64 6.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 111.035 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -139.84 166.05 25.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.075 HG13 ' HB3' ' A' ' 64' ' ' ALA . 10.6 p -143.05 133.93 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.0 132.28 56.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' C ' ' A' ' 27' ' ' ALA . 1.8 p90 -177.15 155.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -106.39 82.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 176.17 -155.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.14 138.82 50.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.6 m -56.66 143.63 67.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.919 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.0 m -147.22 178.15 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.723 HG23 HG12 ' A' ' 52' ' ' VAL . 1.8 mt -67.36 -53.99 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.07 -44.47 91.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -32.4 69.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.971 HG12 HD12 ' A' ' 39' ' ' LEU . 69.1 t -78.75 -39.82 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -60.21 -27.14 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -64.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.8 -35.66 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.971 HD12 HG12 ' A' ' 35' ' ' VAL . 17.5 mt -62.78 -31.06 71.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.2 t -64.35 -40.3 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.868 ' CG1' HD11 ' A' ' 5' ' ' ILE . 42.6 t -72.85 -51.3 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 70' ' ' ILE . 38.4 mt -72.47 -35.3 68.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.97 74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -156.71 -170.5 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -70.3 109.21 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.605 ' CB ' HG21 ' A' ' 40' ' ' VAL . 10.6 ptmt -67.1 -24.3 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.19 -53.95 52.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.53 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 50' ' ' LEU . 3.3 tt -136.13 140.62 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.55 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -155.12 170.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.723 HG12 HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.85 142.55 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -57.25 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -174.14 167.47 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -143.16 169.97 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.91 118.36 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -78.52 123.58 27.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.416 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 1.4 mt -63.85 135.47 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.32 -48.55 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.68 -63.19 0.88 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.567 1.167 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -115.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 0.729 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.9 mt -112.63 45.15 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -102.25 173.92 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.075 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -157.69 134.6 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.14 141.93 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.56 167.03 35.61 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -115.87 131.61 56.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.966 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -106.41 126.09 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.05 147.13 45.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 43' ' ' LEU . 8.9 mt -129.72 133.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 80.9 m-85 -89.1 -178.56 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.48 -46.01 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.4 129.77 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.7 OUTLIER -49.85 -22.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.35 74.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -51.42 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 9.4 ttp -52.23 -46.61 65.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 74' ' ' GLU . . . -47.06 -30.57 2.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.7 m -100.04 -58.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.542 ' CG2' HH21 ' A' ' 16' ' ' ARG . 5.2 mt -39.76 -66.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.68 ' HG3' HG11 ' A' ' 85' ' ' VAL . 2.7 mm-40 -84.59 -175.06 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.4 p -133.59 -179.16 5.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.445 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -25.88 15.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -50.81 69.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.68 HG11 ' HG3' ' A' ' 81' ' ' GLU . 2.4 t -78.39 -50.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -53.14 -26.23 16.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -43.62 76.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -52.14 -68.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.55 ' HB2' HG11 ' A' ' 51' ' ' VAL . 8.6 t30 -76.45 112.54 13.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -44.31 164.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' GLU . 2.9 mp -40.58 -88.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER 59.74 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -113.49 177.46 4.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.621 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.9 pt-20 -86.35 -160.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 168.28 66.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.54 -65.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -170.45 166.98 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 99' ' ' VAL . 8.9 tt0 -168.19 -60.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.537 ' O ' ' O ' ' A' ' 98' ' ' GLU . 10.7 m 44.86 102.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.74 -61.66 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 61.48 166.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.497 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.21 136.97 48.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.475 HG23 ' HD2' ' A' ' 21' ' ' PHE . 4.0 mt -127.43 147.59 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.18 126.78 38.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' ' 21' ' ' PHE . 28.6 mm -81.26 137.14 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.5 mm -96.64 -61.71 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 19' ' ' ILE . 5.7 p -145.09 168.68 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -134.45 108.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 158.2 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -127.18 142.12 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' ARG . 30.1 m-80 -135.66 91.4 18.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.01 -33.85 4.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.9 mp -40.22 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -6.23 53.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 70.01 49.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -122.61 168.04 12.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -137.13 115.19 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -110.79 117.22 32.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 7' ' ' SER . 5.7 mt -124.32 125.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -90.45 135.67 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 11.8 p90 -150.26 -179.67 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER -134.66 156.7 48.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.047 HG13 ' HB3' ' A' ' 64' ' ' ALA . 4.1 p -135.26 128.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -115.84 141.88 47.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HE1' ' HB2' ' A' ' 64' ' ' ALA . 12.0 p90 -176.47 146.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.694 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -127.35 94.84 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.14 -81.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.35 156.09 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.81 115.29 50.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -161.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.96 173.88 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.61 -55.12 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -30.63 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -79.77 -30.11 40.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG12 HD12 ' A' ' 39' ' ' LEU . 2.8 t -79.23 -47.39 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.43 -28.05 7.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.12 -57.41 9.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.98 -49.88 59.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.993 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 18.9 mt -51.52 -35.93 42.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.6 t -60.84 -44.67 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.51 62.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 38' ' ' LYS . 97.0 t -69.15 -52.87 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 70' ' ' ILE . 22.0 mt -75.09 -35.1 61.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.2 t-20 66.42 50.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.44 -174.98 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.84 125.3 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' CB ' HG21 ' A' ' 40' ' ' VAL . 1.7 ptmt -85.89 -14.15 45.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.59 -46.08 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' ILE . 25.0 m -109.89 52.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 70' ' ' ILE . 4.6 tt -136.23 135.02 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.19 164.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.54 144.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.81 -52.28 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.72 146.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.881 HD21 HG11 ' A' ' 23' ' ' VAL . 3.8 tp -114.56 168.95 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.37 109.01 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -79.99 120.0 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.3 mt -66.01 128.68 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -76.55 -33.66 58.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.145 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.6 -43.79 53.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.9 ptpt -135.62 -145.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.1 mt -116.9 43.7 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -104.56 167.1 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.047 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -146.9 132.53 18.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -128.62 131.14 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.75 173.2 35.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -109.04 135.03 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.508 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -108.24 124.35 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HE3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.67 150.18 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.669 ' CD1' HD12 ' A' ' 50' ' ' LEU . 15.8 mt -134.25 132.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 18.1 m-85 -88.04 171.62 10.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -101.75 -33.61 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -160.65 143.95 13.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.23 -34.28 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -53.83 -44.64 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.23 -52.43 12.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.614 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttp -54.34 -47.37 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.24 -43.14 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.6 m -82.57 -64.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.063 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.428 ' CG2' ' NH2' ' A' ' 16' ' ' ARG . 6.4 mt -40.04 -60.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.593 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.3 mm-40 -92.13 -179.34 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.485 ' O ' HD22 ' A' ' 86' ' ' LEU . 11.3 p -130.64 -157.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.18 -14.52 63.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -50.86 71.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.609 1.193 . . . . 0.0 109.993 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.593 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.1 t -82.37 -45.52 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -58.14 -22.62 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -57.16 -47.88 80.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.249 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 11.0 mtpt -52.02 -68.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' LYS . 48.8 t-20 -48.78 103.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ASN . 3.3 mtpt -40.2 147.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.3 mm -126.48 -81.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 8.3 tp10 -88.99 -91.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 1.7 pt-20 -94.0 -175.4 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.547 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.8 pt-20 -87.08 -164.34 1.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 173.43 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -39.33 -65.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -172.72 126.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -43.94 -70.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.3 m -126.17 132.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.5 -69.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -170.93 168.72 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.492 0.187 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.88 93.36 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mt -117.48 131.52 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.2 126.24 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.602 HD11 HG11 ' A' ' 42' ' ' VAL . 35.2 mm -77.92 132.4 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mm -95.39 -56.4 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 109.233 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.1 p -138.68 159.73 41.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -134.05 91.51 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.43 149.1 26.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -124.34 137.96 54.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.35 91.37 46.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.42 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.51 -19.2 65.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 23.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.694 HH21 ' HG3' ' A' ' 69' ' ' LYS . 56.9 mtp180 -117.86 171.52 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.5 tpt180 -116.27 142.54 46.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -129.87 93.3 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 7' ' ' SER . 4.8 mt -124.75 130.38 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.98 144.59 35.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.672 ' HE2' ' HB2' ' A' ' 68' ' ' ALA . 23.1 p90 -160.96 -179.74 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -127.86 153.58 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.804 ' CG1' HD11 ' A' ' 55' ' ' LEU . 2.2 p -137.8 131.32 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.07 148.61 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -154.01 -172.9 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 4.7 m-20 -122.32 89.17 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 70.63 -60.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.51 109.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -103.29 106.66 52.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HB2' HG23 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.04 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m -132.58 -167.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.27 -57.33 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.54 -44.33 87.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.0 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.7 t -78.6 -42.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -49.25 -32.26 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -53.63 36.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.12 -47.21 59.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.521 ' CD1' HG12 ' A' ' 35' ' ' VAL . 62.4 mt -51.01 -41.08 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.667 HG21 ' CB ' ' A' ' 47' ' ' LYS . 7.5 t -55.37 -42.53 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.19 62.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 5' ' ' ILE . 76.3 t -63.96 -52.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.717 HD12 HD11 ' A' ' 70' ' ' ILE . 21.4 mt -75.14 -41.21 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.8 t-20 73.4 51.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.39 -169.4 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -75.19 116.48 15.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.667 ' CB ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.51 -26.25 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.76 -38.62 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 4.0 m -122.41 62.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 36' ' ' LYS . 2.8 tt -136.05 134.43 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.4 t -153.23 172.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.1 t -110.29 153.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -83.14 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -176.95 159.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.804 HD11 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -133.69 170.5 15.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.38 124.59 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -70.51 139.86 51.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.435 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 26.2 mm -89.16 132.87 32.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLY . 34.6 t80 -76.24 -49.41 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -36.67 -54.19 1.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.6 ptpt -134.78 -151.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.9 mt -101.59 40.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -95.46 174.01 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.563 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -160.81 119.36 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -101.95 142.68 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.24 173.5 37.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.5 t80 -120.75 151.96 38.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.672 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -121.06 151.14 40.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.694 ' HG3' HH21 ' A' ' 16' ' ' ARG . 0.0 OUTLIER -141.11 150.4 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.717 HD11 HD12 ' A' ' 43' ' ' LEU . 30.5 mt -139.77 133.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.8 p90 -115.19 150.81 35.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -79.64 -36.5 37.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.17 144.22 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.88 -30.81 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' CD ' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -53.9 -41.76 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.18 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.605 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.2 ttp -54.63 -50.71 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.432 ' O ' HD11 ' A' ' 86' ' ' LEU . . . -46.69 -44.14 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 m -76.39 -54.26 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 81' ' ' GLU . 6.6 mt -41.06 -70.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.675 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.2 mm-40 -86.58 175.38 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -105.63 -167.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.86 -27.12 66.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -56.3 -47.61 78.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.675 HG21 ' HG3' ' A' ' 81' ' ' GLU . 3.5 t -79.93 -53.03 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 78' ' ' ALA . 11.3 mt -55.27 -21.01 12.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -59.97 -53.79 53.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.2 ptmt -52.43 -34.42 48.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 -104.67 35.65 2.69 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -42.54 163.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -47.23 -81.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.18 159.42 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -131.51 178.55 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -149.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.92 89.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -38.74 -61.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.84 125.24 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 99' ' ' VAL . 16.0 tt0 -167.76 -57.17 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.566 1.166 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 98' ' ' GLU . 35.5 m 48.16 -179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 99' ' ' VAL . . . 179.13 176.61 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.47 170.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.48 0.181 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 94.82 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.0 mt -122.0 145.16 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 131.88 25.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mm -81.42 133.99 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -96.98 -58.39 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 19' ' ' ILE . 51.1 m -143.19 164.43 30.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -134.42 97.82 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.3 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -116.64 126.67 53.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.43 91.63 49.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.86 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -50.16 -61.62 2.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.63 -16.31 62.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 59.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.607 ' HD2' ' HZ3' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -177.88 142.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.8 ttt180 -108.56 141.16 40.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.574 1.172 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -126.05 121.7 33.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' SER . 6.6 mt -122.55 123.5 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -88.8 134.94 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 1.093 ' CE1' HD21 ' A' ' 39' ' ' LEU . 5.1 p90 -155.81 -179.43 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -130.45 156.83 44.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.791 HG11 HD11 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -142.23 129.56 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -131.1 156.72 44.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -154.79 -176.51 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.9 m-20 -101.43 80.57 2.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' ASP . . . 59.29 155.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.47 136.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -113.21 141.99 26.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -90.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m 179.94 -179.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.16 -57.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -58.46 -35.03 71.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.77 -27.58 60.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 31' ' ' SER . 3.0 t -81.43 -55.33 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.208 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.05 -25.49 3.46 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -52.27 -52.7 51.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -51.28 42.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.093 HD21 ' CE1' ' A' ' 21' ' ' PHE . 1.3 mt -51.98 -37.28 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.68 ' CG2' HD22 ' A' ' 50' ' ' LEU . 2.2 t -55.39 -39.33 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.93 58.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.61 -51.51 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.52 -31.7 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' VAL . 15.5 t-20 55.02 55.58 7.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.5 -170.49 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -73.7 98.84 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -22.94 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.56 -64.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 70' ' ' ILE . 26.7 m -97.08 55.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD12 ' CD1' ' A' ' 70' ' ' ILE . 3.4 tt -134.82 134.41 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.938 HG11 ' HB3' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -154.56 176.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t -109.29 150.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.06 161.89 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.791 HD11 HG11 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -140.08 169.47 17.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.17 115.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -78.06 122.76 26.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.4 mt -63.61 142.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -87.3 -47.21 9.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.41 -56.38 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.5 ptpt -122.76 -153.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -107.19 44.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -102.15 171.51 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -159.31 135.82 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -124.43 141.52 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.12 161.26 31.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -106.02 132.87 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 0.824 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.63 124.55 49.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.607 ' HZ3' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -124.25 148.82 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.723 ' CD1' HD12 ' A' ' 50' ' ' LEU . 49.8 mt -138.73 140.02 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -100.02 141.01 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.81 -37.69 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.91 134.67 5.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.3 mp0 -58.37 -19.29 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.12 -44.27 83.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -80.97 -53.94 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -50.7 -44.35 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -51.8 -31.55 27.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -99.97 -66.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 29.7 mt -46.67 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.89 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -45.38 153.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 p -109.09 169.51 8.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -52.44 -23.98 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.89 HG11 ' HG2' ' A' ' 81' ' ' GLU . 39.5 t -74.04 -51.65 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -61.84 -23.33 66.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 1.067 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.64 -49.75 74.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -49.31 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.938 ' HB3' HG11 ' A' ' 51' ' ' VAL . 8.8 p-10 -79.46 67.75 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.9 OUTLIER -71.09 152.21 43.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.3 mt -40.48 -79.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.81 -175.32 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -117.23 176.15 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.8 pt-20 -98.82 -166.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 171.68 65.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -60.68 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 62.73 124.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -169.15 -71.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.78 166.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.18 109.99 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -40.51 154.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.225 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.577 0.227 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -135.69 128.22 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 39' ' ' LEU . 1.3 mt -115.32 144.97 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.14 125.29 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 21' ' ' PHE . 19.0 mm -82.11 133.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 mm -98.24 -58.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.87 162.95 33.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.19 100.94 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 159.21 17.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -133.91 132.45 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.0 m120 -124.06 91.51 49.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.531 1.806 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.9 -63.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -92.02 25.5 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.51 33.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 16.9 mtm-85 -107.41 168.95 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.9 123.52 37.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.18 125.7 71.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -117.56 139.04 51.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.688 ' HB3' HD13 ' A' ' 5' ' ' ILE . 3.1 p90 -159.95 179.89 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -125.31 157.3 37.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.1 p -126.7 123.66 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -105.48 138.18 42.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -170.95 145.72 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.582 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.5 p-10 -128.96 99.57 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 170.73 -93.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.92 156.95 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -80.24 123.23 83.31 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -118.61 -170.49 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.474 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.08 -57.2 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -54.56 -51.54 64.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -34.93 59.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 39' ' ' LEU . 2.7 t -78.24 -36.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.83 -20.99 61.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -63.1 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.814 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.704 HD12 HG12 ' A' ' 35' ' ' VAL . 22.7 mt -58.84 -40.37 84.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 36' ' ' LYS . 3.8 t -56.38 -43.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.99 63.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 38' ' ' LYS . 92.3 t -64.94 -52.66 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD12 HD11 ' A' ' 50' ' ' LEU . 70.8 mt -74.65 -40.64 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' VAL . 8.9 t-20 74.13 45.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.71 -170.73 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.49 ' ND2' HG22 ' A' ' 49' ' ' VAL . 14.6 t-20 -65.29 148.77 51.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.5 ' CB ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -110.42 -31.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -61.4 -13.8 22.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.49 HG22 ' ND2' ' A' ' 46' ' ' ASN . 31.2 m -138.31 47.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.696 HD12 ' CD1' ' A' ' 70' ' ' ILE . 3.7 tt -136.37 134.05 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 89' ' ' ASN . 1.5 t -153.64 173.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -107.75 151.09 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.27 -56.6 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -165.99 166.55 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.355 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -147.41 170.83 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -155.86 120.5 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -69.1 144.57 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.5 mm -90.72 130.82 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.91 -25.76 34.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.52 -49.89 69.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -140.74 -151.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.84 44.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.376 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 169.21 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -155.88 120.67 4.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.2 tt0 -101.72 138.57 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.523 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -159.37 168.52 35.31 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 8.9 t80 -117.11 141.98 47.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' TYR . . . -107.19 165.3 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 148.39 32.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.696 ' CD1' HD12 ' A' ' 50' ' ' LEU . 86.9 mt -144.45 143.13 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.778 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 2.1 t80 -121.39 -175.66 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.063 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.98 -55.81 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 130.47 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.39 -19.38 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -58.63 -50.37 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.778 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -71.6 -51.85 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.478 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 1.4 ttp -52.34 -47.37 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.562 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -48.77 -29.21 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.8 m -89.91 -65.28 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.661 HD12 ' OH ' ' A' ' 71' ' ' TYR . 20.6 mt -47.27 -75.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.753 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -43.76 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -120.9 176.88 5.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -60.16 -15.73 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -44.96 36.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.753 HG11 ' HG2' ' A' ' 81' ' ' GLU . 74.1 t -73.41 -54.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -57.47 -25.9 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.77 -49.94 69.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.24 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.715 ' HZ3' ' HA ' ' A' ' 85' ' ' VAL . 1.5 mppt? -49.33 -64.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.586 ' HB2' HG11 ' A' ' 51' ' ' VAL . 64.7 t30 -66.93 107.99 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -47.01 148.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.71 -86.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.74 -171.77 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.42 -178.89 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 13.8 pt-20 -84.17 -160.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 165.69 96.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -44.62 -64.06 0.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -170.35 125.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.07 -55.76 16.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.46 141.54 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.79 131.59 44.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -111.66 169.19 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' A' ' 25' ' ' PHE . 21.7 tpp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.575 0.226 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.75 125.37 7.64 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -107.02 142.85 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.85 126.2 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -78.39 134.76 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.1 mm -98.25 -57.12 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -140.22 168.92 18.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -134.23 101.71 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.94 138.65 43.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.093 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -126.32 125.94 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -124.3 91.75 49.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.38 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -47.21 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.66 -14.24 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.92 50.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -160.43 145.92 14.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -105.11 135.66 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -121.9 115.76 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -125.42 136.51 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' CG ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.08 142.3 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.732 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 42.0 p90 -157.1 -179.85 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -130.34 142.09 50.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' HB ' ' CG1' ' A' ' 3' ' ' ILE . 3.4 p -125.07 129.08 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -95.29 139.07 32.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 75.4 m-85 -129.09 166.02 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.723 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.5 m-20 -157.89 68.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 160.87 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.87 156.23 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 135.53 47.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.917 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.2 m -159.98 -176.92 5.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.073 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.39 -55.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -60.57 -41.66 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' MET . 1.1 t70 -57.46 -35.28 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 31' ' ' SER . 97.3 t -80.09 -51.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.31 -26.79 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 1.2 mtm -51.47 -57.34 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -50.32 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.849 ' CD1' HG12 ' A' ' 35' ' ' VAL . 9.4 mt -50.04 -36.23 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.9 t -58.64 -42.67 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.04 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.51 -51.73 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.71 -33.1 68.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 71.07 63.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.98 -169.89 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -83.33 -172.1 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 49' ' ' VAL . 14.4 ptmt -112.44 -133.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 mt-30 34.72 -95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 6.3 m -40.15 -29.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 51' ' ' VAL . 1.1 tt -83.28 134.73 34.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -154.88 175.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.3 t -104.52 143.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -73.92 -56.94 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.22 160.82 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.486 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -136.45 168.59 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.44 120.58 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.94 140.7 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mm -88.82 134.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.8 -45.95 17.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.4 -48.85 2.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.7 ptpt -144.35 -156.37 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD13 ' OD2' ' A' ' 26' ' ' ASP . 1.8 mt -93.74 39.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.28 165.01 12.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -152.55 132.87 13.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.03 139.71 49.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.28 166.68 33.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.61 ' CD2' ' CG ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -119.44 138.69 52.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 0.822 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.98 145.05 49.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' HD12 ' A' ' 50' ' ' LEU . 77.2 mt -134.91 136.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.196 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.722 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -113.64 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -112.57 -53.15 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 122.97 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 12.4 mt-10 -59.1 -19.38 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -58.76 -43.56 90.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.722 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -76.06 -52.84 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.589 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttt -54.58 -49.45 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.824 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -51.62 -29.48 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 m -91.54 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 mt -46.28 -69.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.875 ' HG2' HG11 ' A' ' 85' ' ' VAL . 2.9 mp0 -57.97 165.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 p -116.57 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -50.1 -26.8 4.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -44.59 82.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.046 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' A' ' 81' ' ' GLU . 47.7 t -79.92 -56.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -52.81 -22.35 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.85 -50.98 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 7.9 mtpt -49.55 -67.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.41 110.6 6.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.55 148.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.198 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.62 -90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.57 172.78 14.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.295 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -96.74 -174.82 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -86.9 -165.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -178.44 92.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -39.0 -63.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.25 125.13 44.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -168.46 -72.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.3 m -123.53 168.58 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.46 147.2 29.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -164.18 161.68 22.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 tpp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.453 0.168 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.67 119.25 24.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.674 HD13 HD21 ' A' ' 39' ' ' LEU . 3.4 mt -116.26 140.13 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.417 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.83 125.09 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 21' ' ' PHE . 15.9 mm -85.42 129.4 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -94.49 -60.54 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -137.01 158.66 43.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -132.39 87.76 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.12 157.19 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -127.6 138.04 52.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ARG . 3.5 m120 -116.72 91.82 36.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -45.56 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.56 -14.07 61.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.25 25.37 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.723 HH22 ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -108.54 178.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.04 129.48 50.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' OE1' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 mt-10 -112.11 102.33 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mt -125.15 134.64 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -119.82 135.3 54.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.765 ' HB3' HD13 ' A' ' 5' ' ' ILE . 6.1 p90 -159.74 179.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -124.75 156.43 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 64' ' ' ALA . 6.6 p -132.11 129.5 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.53 140.92 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -141.17 179.85 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 3.6 m-20 -99.72 79.12 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 59.73 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ALA . . . 61.91 128.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.6 t -94.22 147.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.96 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.42 1.747 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.689 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.6 m 177.8 -179.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.488 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -71.99 -57.49 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -58.55 -29.53 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.34 -29.84 34.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' SER . 3.4 t -78.69 -38.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.946 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.4 -21.45 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -61.67 -64.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.65 -31.88 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 3' ' ' ILE . 35.5 mt -59.82 -30.65 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.5 t -54.75 -37.44 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.33 26.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 5' ' ' ILE . 55.4 t -59.03 -51.66 69.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.643 HD12 HD11 ' A' ' 50' ' ' LEU . 15.4 mt -72.27 -38.56 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 67.33 54.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.52 -170.33 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -70.48 135.07 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -19.25 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.695 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.9 mt-30 -98.41 173.39 6.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 48' ' ' GLN . 9.9 m 49.01 25.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.721 HD12 HG12 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -129.63 134.61 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.498 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.6 t -153.53 173.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.498 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -100.45 151.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -86.69 -55.52 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -168.41 159.49 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.414 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.575 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -139.71 169.19 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.05 129.1 3.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.49 146.72 50.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LYS . 34.6 mm -98.69 132.05 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -77.88 -42.29 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.68 -50.74 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' ILE . 4.8 ptpt -142.99 -153.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt -97.59 49.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 167.07 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.575 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -155.23 120.16 4.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.84 141.24 35.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 54' ' ' THR . . . -159.5 157.71 28.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 20' ' ' LYS . 1.2 t80 -103.56 146.52 28.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -117.35 151.65 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.47 143.84 44.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.721 HG12 HD12 ' A' ' 50' ' ' LEU . 30.7 mt -137.76 132.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.624 ' CE1' ' HA ' ' A' ' 49' ' ' VAL . 1.4 p90 -115.04 170.29 8.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -85.09 -37.04 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.73 151.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.3 -19.4 62.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 3.0 mmpt? -56.09 -42.16 76.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.723 ' HB3' HH22 ' A' ' 16' ' ' ARG . . . -77.11 -52.97 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.527 ' N ' HH21 ' A' ' 16' ' ' ARG . 0.9 OUTLIER -51.69 -46.27 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.73 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -95.36 -56.42 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.41 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -40.23 -71.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -93.17 178.83 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 p -121.41 -160.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -62.89 -15.0 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -51.09 70.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 9.0 t -82.57 -41.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -63.26 -18.53 63.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -62.6 -53.56 52.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.0 ptmt -53.97 -34.31 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 57.9 t30 -94.34 167.9 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -39.71 151.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.77 -80.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.3 147.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -113.44 176.61 4.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 11.6 pt-20 -93.88 -155.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.45 80.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.72 -64.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.94 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -168.28 -72.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.27 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 18.5 m -133.43 115.81 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 99' ' ' VAL . . . 176.52 178.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -129.93 170.48 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.424 0.154 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.75 133.52 55.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.786 HD13 HD21 ' A' ' 39' ' ' LEU . 7.5 mt -134.17 141.61 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.99 127.78 39.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 mm -74.28 140.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -104.66 -56.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' ILE . 2.2 m -141.89 160.06 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -134.31 92.54 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 153.81 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -129.82 121.75 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 16' ' ' ARG . 4.4 p30 -123.1 91.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.03 -32.12 5.6 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.8 mp -40.03 -60.73 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 23.1 mt -79.35 -19.69 49.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 83.6 27.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.696 HH21 ' HA ' ' A' ' 77' ' ' MET . 4.6 mmt-85 -122.68 170.01 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.2 122.96 38.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.81 107.8 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 7' ' ' SER . 4.8 mt -125.06 131.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -104.06 145.36 30.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.646 ' CE1' ' HB2' ' A' ' 68' ' ' ALA . 31.1 p90 -155.81 -179.97 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.464 HG23 ' OE2' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -131.85 159.64 37.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.103 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.5 p -134.89 130.64 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.35 134.33 55.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.2 p90 -171.5 148.64 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.801 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -123.5 89.63 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 175.19 -80.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -169.93 156.39 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -81.72 138.47 47.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.1 m -170.62 177.96 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.518 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -68.62 -57.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -35.81 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.912 HG12 HD12 ' A' ' 39' ' ' LEU . 4.0 t -79.14 -35.73 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -67.22 -24.13 65.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 mmm -57.12 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.877 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.76 -36.75 81.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.912 HD12 HG12 ' A' ' 35' ' ' VAL . 46.7 mt -64.08 -31.24 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 HD22 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -59.8 -45.81 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.67 65.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 38' ' ' LYS . 66.2 t -67.5 -52.58 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.739 HD13 HD11 ' A' ' 70' ' ' ILE . 60.1 mt -73.68 -35.95 65.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.4 t-20 59.11 71.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.49 -173.71 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 49' ' ' VAL . 64.5 t-20 -59.5 118.58 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -26.62 44.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.2 -60.06 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 49' ' ' VAL . 13.7 m -96.11 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -134.88 134.99 41.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.1 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.518 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.2 t -111.42 143.56 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -76.13 -57.18 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.15 162.03 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.551 HD21 HG11 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -142.68 168.35 19.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -162.37 122.64 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.37 126.92 34.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.27 128.82 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -80.8 -29.94 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.94 -55.65 24.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.616 1.198 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.96 -145.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.2 mt -113.2 42.09 1.99 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' OE2' HG23 ' A' ' 22' ' ' THR . 0.3 OUTLIER -105.04 173.37 6.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.103 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.4 136.77 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.4 tt0 -124.59 140.84 52.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 55' ' ' LEU . . . -161.76 164.62 35.33 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -111.97 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.646 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -105.03 126.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HE2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -118.82 138.91 52.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 43' ' ' LEU . 46.3 mt -118.58 132.1 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 77' ' ' MET . 64.0 m-85 -90.73 -177.41 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 4.2 m-20 -133.77 -46.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -144.08 128.04 17.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.46 -29.01 67.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.55 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -71.33 -52.41 18.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.696 ' HA ' HH21 ' A' ' 16' ' ' ARG . 1.2 ttp -52.14 -46.24 65.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.36 -32.9 5.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -99.4 -65.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ALA . 9.5 mt -41.51 -70.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.937 ' HG2' HG11 ' A' ' 85' ' ' VAL . 1.2 mp0 -56.22 167.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -120.17 171.97 8.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -55.96 -18.74 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -41.34 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.937 HG11 ' HG2' ' A' ' 81' ' ' GLU . 3.6 t -76.29 -61.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -50.86 -22.78 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.8 -53.38 58.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 2.1 ptmt -56.56 -34.17 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.2 t-20 -93.04 31.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.8 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 92' ' ' GLU . 3.3 mt -64.75 -94.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -158.91 162.46 36.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -133.83 177.41 7.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 16.6 pt-20 -85.01 -155.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.76 90.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 23.0 mt-10 -38.79 -62.06 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.36 124.91 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -169.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.5 m -48.21 149.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.98 76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -157.07 167.23 31.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.518 0.199 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.97 103.9 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.551 HD13 ' CD2' ' A' ' 39' ' ' LEU . 5.4 mt -110.89 147.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.56 127.15 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 21' ' ' PHE . 26.3 mm -81.63 133.44 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mm -96.64 -56.9 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -145.75 166.28 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.25 98.83 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.84 155.55 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -131.88 131.12 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -122.35 91.35 49.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.65 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -41.62 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.84 -13.96 60.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 69.91 53.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.472 HH22 HD12 ' A' ' 80' ' ' ILE . 3.4 mtt85 -140.16 167.18 22.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.03 127.96 55.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -116.12 101.21 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.77 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -120.24 139.19 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.768 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 2.1 p90 -158.17 -179.89 8.53 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.6 1.187 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.02 155.82 29.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 64' ' ' ALA . 4.9 p -133.12 128.25 55.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.32 144.63 51.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CZ ' ' OG1' ' A' ' 29' ' ' THR . 8.7 p90 -149.41 -173.82 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.4 m-20 -109.03 80.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 70.61 -60.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.77 112.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.517 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.72 101.1 52.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.0 m -115.33 -171.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -71.98 -57.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.3 -35.79 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -36.73 77.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 31' ' ' SER . 39.5 t -77.91 -32.81 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -53.4 -33.31 53.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.27 33.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.01 -44.48 69.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.267 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.768 HD22 ' CZ ' ' A' ' 21' ' ' PHE . 95.2 mt -55.3 -37.41 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 36' ' ' LYS . 3.1 t -56.32 -41.83 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.25 -39.46 63.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 38' ' ' LYS . 60.4 t -63.87 -48.38 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.558 HD12 HD11 ' A' ' 50' ' ' LEU . 38.0 mt -75.37 -44.43 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.6 t-20 67.91 76.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.07 -170.55 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.65 121.51 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -27.33 31.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.1 -39.58 82.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.7 56.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD11 HD12 ' A' ' 43' ' ' LEU . 2.5 tt -136.16 134.58 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.628 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -154.67 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.1 t -112.01 154.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -55.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -166.68 161.61 15.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -141.92 169.12 18.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.33 120.67 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -84.89 130.37 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.24 137.15 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.27 -42.92 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.19 -66.51 1.04 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.4 ptpt -110.43 -144.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -117.14 43.77 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.86 169.82 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.1 133.85 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.96 141.01 48.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.86 161.4 31.86 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -114.53 133.43 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . . . -104.91 137.64 42.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.541 ' NZ ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -132.0 145.39 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.406 HD11 HD13 ' A' ' 43' ' ' LEU . 24.3 mt -131.6 137.25 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CE1' ' NZ ' ' A' ' 69' ' ' LYS . 9.7 m-85 -95.0 -177.12 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -107.91 -56.12 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.94 125.07 14.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 5.8 mp0 -50.83 -21.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -50.55 71.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -76.17 -53.03 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.763 ' CE ' HD11 ' A' ' 86' ' ' LEU . 2.2 ttt -50.06 -53.44 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -46.42 -26.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -99.88 -67.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.472 HD12 HH22 ' A' ' 16' ' ' ARG . 77.6 mt -47.73 -61.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.836 ' CD ' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -46.81 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.445 ' C ' ' OE2' ' A' ' 81' ' ' GLU . 36.3 p -134.44 166.54 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -57.05 -17.57 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.8 -39.86 42.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.404 ' HB ' ' OE1' ' A' ' 81' ' ' GLU . 6.4 t -69.94 -67.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.836 HD22 ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -48.65 -27.41 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.12 -46.7 68.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ASN . 2.0 mppt? -50.05 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.628 ' HB2' HG11 ' A' ' 51' ' ' VAL . 38.8 t-20 -40.18 109.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ASN . 3.7 mtpt -40.39 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -40.88 -84.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.48 149.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -104.37 179.7 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 13.2 pt-20 -90.24 -162.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 170.6 68.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.247 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.64 -64.81 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -169.71 166.51 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -40.28 -52.25 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.2 m -112.26 160.44 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.19 177.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -153.83 161.65 41.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 tpp . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.484 0.183 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.44 129.6 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.707 HD13 HD21 ' A' ' 39' ' ' LEU . 2.0 mt -109.86 141.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 128.13 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 21' ' ' PHE . 37.0 mm -76.38 136.88 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -97.07 -59.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -139.45 170.4 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -133.96 89.93 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.28 142.62 39.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.0 p-10 -127.64 144.36 51.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.21 91.51 41.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.16 3.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -53.02 -59.85 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.911 HD13 HH21 ' A' ' 16' ' ' ARG . 33.7 mt -73.78 -11.14 60.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.54 63.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.911 HH21 HD13 ' A' ' 14' ' ' LEU . 9.7 ptt180 -177.78 142.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 6.2 ttt180 -98.63 128.11 44.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -99.52 93.46 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.458 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 1.9 mm -96.0 144.19 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -124.44 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 9.3 p90 -161.29 -179.08 7.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -136.47 162.95 31.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 11.4 p -142.47 134.52 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.6 145.95 38.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -169.07 164.15 11.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -120.49 96.91 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 75.77 -59.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.07 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -91.96 112.49 55.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.8 m -154.21 -179.01 7.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.673 HG23 HG12 ' A' ' 52' ' ' VAL . 1.8 mt -59.57 -56.93 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.87 -52.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -30.69 62.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.683 HG12 HD12 ' A' ' 39' ' ' LEU . 6.9 t -79.07 -54.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -55.76 -24.8 37.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.948 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -72.7 -33.26 66.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 13.3 mt -65.0 -30.94 71.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -55.24 -46.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -39.38 63.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 38' ' ' LYS . 39.3 t -59.97 -52.6 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.55 HD12 HD11 ' A' ' 50' ' ' LEU . 22.3 mt -78.69 -24.82 44.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 45.3 57.23 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 -172.23 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -62.69 115.69 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HB3' HG22 ' A' ' 40' ' ' VAL . 2.5 ptmt -79.44 -13.55 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -72.67 -42.16 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 m -115.23 50.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.55 HD11 HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -135.4 134.6 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -154.76 175.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.673 HG12 HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -107.98 142.0 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -57.07 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -177.28 165.28 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -133.52 169.07 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.44 122.31 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -63.94 147.03 52.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.9 mm -93.34 134.16 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.87 -33.43 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.41 34.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.153 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.0 ptpt -148.77 -153.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.4 mt -90.37 40.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.62 161.67 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.226 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -145.42 130.71 18.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.8 148.34 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.1 167.01 37.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.578 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 1.1 t80 -115.05 136.72 52.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.07 53.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -124.73 148.14 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.494 HD11 HD13 ' A' ' 43' ' ' LEU . 23.7 mt -130.37 130.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 1.3 m-85 -87.9 141.15 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.15 -29.83 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.84 123.58 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.46 -45.93 84.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.84 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -54.2 -46.1 72.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.621 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.2 -47.03 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.9 m -80.76 -57.24 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 8.3 mt -39.96 -65.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.681 ' HG3' HG21 ' A' ' 85' ' ' VAL . 3.0 mm-40 -87.51 -174.81 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -125.27 -163.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.49 -12.42 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.12 -50.69 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.681 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -80.93 -41.27 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -64.44 -19.34 65.48 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -62.38 -52.94 61.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 2.4 ptmt -56.09 -34.25 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.585 ' HB2' HG11 ' A' ' 51' ' ' VAL . 18.5 t-20 -119.0 90.39 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -43.49 158.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.63 -76.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.63 169.92 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.81 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -81.18 -156.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 170.33 95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.205 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -40.51 -66.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 61.78 151.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -167.75 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.9 m -85.22 119.82 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -169.02 170.22 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.18 169.84 21.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.481 0.181 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.02 136.29 52.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.458 HD13 HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -130.67 142.4 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.26 127.19 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.029 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.569 HD13 ' CB ' ' A' ' 21' ' ' PHE . 11.5 mm -86.28 132.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.14 -64.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.395 1.06 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -133.12 162.04 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -134.05 96.63 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 159.09 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -129.48 140.93 51.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -128.39 91.14 44.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -36.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -39.92 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.52 -12.58 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.05 34.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.61 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 18.9 mtm105 -117.94 171.65 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.16 142.26 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -131.94 98.13 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.228 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 7' ' ' SER . 3.9 mt -124.16 142.9 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -112.6 142.19 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 9.7 p90 -158.45 -179.62 8.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -137.98 156.14 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.909 HG13 ' HB3' ' A' ' 64' ' ' ALA . 6.7 p -127.49 129.94 70.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -117.26 126.07 52.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.85 146.7 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.871 ' HB3' HD13 ' A' ' 62' ' ' LEU . 1.3 p-10 -127.4 93.27 3.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.12 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.53 155.66 39.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -76.22 120.9 83.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m -116.06 172.72 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -63.87 -54.77 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' CD ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -50.91 -41.5 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -28.84 66.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG12 HD12 ' A' ' 39' ' ' LEU . 5.3 t -79.23 -41.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.853 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -64.2 -23.84 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.11 -64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.88 -37.17 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.662 HD12 HG12 ' A' ' 35' ' ' VAL . 13.5 mt -57.95 -32.12 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 36' ' ' LYS . 5.3 t -68.09 -41.57 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.18 -25.76 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 38' ' ' LYS . 55.7 t -81.87 -50.56 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 70' ' ' ILE . 89.0 mt -73.64 -37.59 65.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.8 t-20 70.49 64.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.54 -174.37 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.25 138.66 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.846 ' HB3' HG21 ' A' ' 40' ' ' VAL . 1.9 ptmt -93.81 -13.02 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -38.22 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -117.63 47.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.621 HD12 HG12 ' A' ' 70' ' ' ILE . 6.1 tt -136.64 135.87 38.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.6 164.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.67 144.39 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -57.22 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -171.58 160.99 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -138.04 169.1 18.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.2 120.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.03 145.76 55.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 30.3 mm -92.25 132.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -79.63 -30.76 41.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.72 -51.55 48.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -142.1 -154.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.2 mt -92.3 39.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 1.2 tt0 -98.04 167.35 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.909 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -155.11 120.24 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.4 tt0 -101.71 141.17 34.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -159.33 165.1 34.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -113.11 138.16 50.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.97 146.86 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.49 147.96 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.761 HD11 HD13 ' A' ' 43' ' ' LEU . 35.5 mt -136.68 139.07 45.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.61 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -114.25 179.85 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -106.03 -38.96 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.65 146.79 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 49.0 mt-10 -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -61.54 -42.7 99.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -79.38 -50.99 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 10.7 ttp -55.18 -48.39 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.808 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -46.98 -50.97 18.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 80' ' ' ILE . 13.2 m -75.01 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' THR . 7.3 mt -40.25 -66.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.74 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.6 mm-40 -89.51 -172.46 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.269 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.431 ' O ' HD22 ' A' ' 86' ' ' LEU . 42.7 p -122.36 -164.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.91 -26.31 64.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.37 -46.39 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.74 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -79.12 -46.17 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -61.13 -19.48 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -63.01 -53.39 54.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 1.6 ptmt -62.01 -33.82 75.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 18.3 t30 -83.69 104.08 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -61.73 147.93 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -116.3 -80.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 172.69 8.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.13 -169.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 14.3 pt-20 -79.2 -155.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 59.74 65.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.51 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 63.11 128.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 99' ' ' VAL . 12.0 tt0 -168.07 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.543 ' O ' ' O ' ' A' ' 98' ' ' GLU . 8.6 m 44.52 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 101' ' ' GLU . . . -51.88 158.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 3.6 tt0 82.67 164.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.343 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tpp . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.442 0.163 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.92 134.9 54.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' THR . 11.3 mt -134.73 142.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 125.59 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 109.966 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.444 HD11 HG11 ' A' ' 42' ' ' VAL . 28.4 mm -76.36 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.469 HG21 ' HE3' ' A' ' 20' ' ' LYS . 14.3 mm -100.52 -56.28 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.1 m -146.6 156.33 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.072 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -134.26 90.56 2.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 158.63 15.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.3 130.83 45.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' ARG . 19.7 m120 -122.9 91.49 49.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.71 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.767 HD13 HH21 ' A' ' 16' ' ' ARG . 9.1 mt -65.77 -15.57 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.57 40.76 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.767 HH21 HD13 ' A' ' 14' ' ' LEU . 24.9 mtm105 -128.31 170.78 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 139.34 54.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.01 100.42 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.627 1.205 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 7' ' ' SER . 5.8 mt -124.98 127.71 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 148.39 26.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.988 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 33.9 p90 -161.21 -179.8 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -135.5 147.89 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.709 ' CG1' HD21 ' A' ' 55' ' ' LEU . 7.4 p -129.99 131.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.093 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 1.4 t -119.98 155.51 32.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 32.1 p90 -169.34 166.64 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.8 m-20 -97.45 83.62 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 71.8 -59.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.77 108.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.4 109.8 60.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.373 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.675 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.2 m -122.75 -174.84 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -68.42 -57.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.81 -35.37 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.5 OUTLIER -74.77 -27.93 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 31' ' ' SER . 3.2 t -81.29 -55.21 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -51.29 -25.91 6.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.435 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -51.53 -50.93 59.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -49.47 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.988 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 83.9 mt -51.43 -35.57 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.3 t -55.18 -43.02 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.75 -40.07 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 HD11 ' A' ' 5' ' ' ILE . 91.6 t -61.23 -52.69 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -41.23 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.3 t-20 67.56 60.18 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.59 -170.19 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 42.1 t-20 -72.99 91.56 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.72 -23.22 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CD ' ' OD1' ' A' ' 46' ' ' ASN . 34.2 mt-30 -58.24 -71.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 m -88.24 55.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 70' ' ' ILE . 6.6 tt -136.4 136.86 39.93 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.6 t -153.46 174.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.1 t -111.03 154.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -57.07 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -171.52 168.26 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.709 HD21 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -147.02 167.75 23.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.3 122.85 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.484 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 37.3 tt0 -80.72 117.87 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.8 mt -63.94 146.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -92.36 -34.29 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.92 -60.06 2.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -114.8 -111.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 61' ' ' LYS . 18.4 mt -149.7 21.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.519 ' OE1' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -92.38 176.47 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -151.91 150.59 30.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -124.93 142.5 51.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.3 157.81 30.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 1.6 t80 -107.99 143.67 36.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -111.43 140.02 46.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 144.41 50.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.629 ' CD1' HD12 ' A' ' 50' ' ' LEU . 24.9 mt -138.83 134.58 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.6 p90 -114.27 151.06 33.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.54 -35.19 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -151.19 141.49 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.06 -31.19 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.34 -43.87 71.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.93 9.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.194 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 ttp -53.59 -50.45 65.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.952 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.42 -32.24 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 80' ' ' ILE . 5.2 m -88.57 -50.03 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 79' ' ' THR . 68.7 mt -40.07 -67.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.694 ' HG3' HG21 ' A' ' 85' ' ' VAL . 1.4 mm-40 -98.91 -176.23 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 110.228 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -103.98 -167.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -68.23 -12.22 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.246 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -62.68 -50.73 70.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.093 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.694 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -75.97 -40.42 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.952 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -67.59 -22.77 65.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.0 -45.7 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -53.1 -69.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.423 ' HA ' HG11 ' A' ' 51' ' ' VAL . 46.7 t30 -50.24 113.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ASN . 5.6 mtpt -39.87 155.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -42.37 -88.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.76 147.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -106.64 -179.05 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.2 pt-20 -91.79 -162.27 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 173.96 67.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.43 -67.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -169.11 167.87 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.38 -50.55 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.82 133.22 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.32 137.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -165.19 163.45 20.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.252 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpp? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.511 0.196 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.73 97.03 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 23' ' ' VAL . 2.6 mt -112.55 140.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.08 126.74 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.2 mm -80.21 129.53 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.4 mm -92.65 -58.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -137.37 156.18 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -133.9 91.05 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.46 155.89 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -131.72 134.03 45.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -125.74 91.38 48.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -40.34 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.05 -13.83 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.4 35.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.186 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.732 ' NH2' ' H ' ' A' ' 72' ' ' ASN . 0.7 OUTLIER -117.54 172.84 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.09 127.23 26.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -120.45 107.45 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 7' ' ' SER . 5.7 mt -125.12 127.72 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.36 143.41 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.663 ' HE1' ' HB2' ' A' ' 68' ' ' ALA . 29.7 p90 -160.5 -179.53 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -132.2 148.2 52.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 64' ' ' ALA . 9.7 p -121.92 129.87 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 135.88 54.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -167.36 146.1 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.45 ' HA ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -122.46 92.51 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.08 -78.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.94 159.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.1 116.49 59.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -113.84 174.42 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.068 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.22 -57.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.97 -29.13 64.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -75.13 -34.28 61.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.77 HG12 ' CD1' ' A' ' 39' ' ' LEU . 16.4 t -79.71 -47.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.47 -28.27 5.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.04 -56.16 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -45.71 60.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.77 ' CD1' HG12 ' A' ' 35' ' ' VAL . 64.8 mt -49.61 -39.16 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.2 t -55.11 -42.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -40.29 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.81 -52.53 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 50' ' ' LEU . 47.8 mt -73.44 -41.12 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.2 t-20 70.78 54.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.3 -172.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.35 122.45 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.38 -37.83 39.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.628 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.8 mt-30 -86.89 -179.18 6.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 48' ' ' GLN . 16.7 m 47.96 31.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD12 HG12 ' A' ' 70' ' ' ILE . 2.7 tt -135.45 133.45 38.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 50' ' ' LEU . 1.3 t -154.39 174.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.492 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.9 t -104.57 150.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -80.49 -55.97 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.69 164.89 12.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -144.59 168.05 21.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.25 117.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -65.08 143.36 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.409 HG13 ' HB3' ' A' ' 63' ' ' GLU . 5.9 mm -91.45 133.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -78.76 -44.56 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.1 -57.44 2.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.3 ptpt -137.31 -156.32 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 26' ' ' ASP . 1.8 mt -91.98 45.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HB3' HG13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -104.47 163.69 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -151.27 130.4 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.03 140.38 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.69 38.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -116.56 144.48 44.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.067 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.663 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -103.73 158.77 16.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.617 ' CE ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -145.11 148.34 33.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.638 HG12 HD12 ' A' ' 50' ' ' LEU . 73.3 mt -144.08 128.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' LYS . 1.2 m-85 -107.15 156.01 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.732 ' H ' ' NH2' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -75.44 -73.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -128.11 127.91 43.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 -24.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 73' ' ' ASP . 1.6 mtmt -56.14 -49.59 73.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.66 -53.08 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.1 ttp -51.77 -44.82 63.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.28 -30.08 11.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 m -99.3 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 81' ' ' GLU . 14.7 mt -44.75 -74.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.86 ' HG2' HG11 ' A' ' 85' ' ' VAL . 2.6 mp0 -56.1 175.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.7 p -129.72 177.82 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -25.44 60.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -41.81 98.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.86 HG11 ' HG2' ' A' ' 81' ' ' GLU . 2.9 t -77.92 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.57 -24.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -56.84 -47.32 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.3 ptmt -62.63 -34.57 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.407 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 -68.68 106.05 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.14 149.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.88 -83.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.373 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 5.1 tp10 -172.12 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 2.9 pt-20 -111.55 178.83 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.7 pt-20 -84.72 -163.32 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 169.68 87.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -39.2 -62.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -172.4 166.21 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.541 ' O ' ' O ' ' A' ' 99' ' ' VAL . 15.5 tt0 -168.14 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 98' ' ' GLU . 11.6 m 44.66 102.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.27 -69.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -173.54 170.18 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.441 HG13 HG23 ' A' ' 23' ' ' VAL . 4.9 mt -108.18 146.83 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.73 127.59 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mm -80.58 132.0 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.0 mm -95.13 -58.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -140.83 162.83 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 146.34 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -120.39 125.97 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.2 m-80 -116.59 91.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.13 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.45 -63.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 2.1 mt -92.21 25.32 2.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.37 38.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 22.0 mtm-85 -114.2 169.68 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -128.42 124.31 35.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 16.4 mt-10 -106.39 100.33 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.393 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.19 115.1 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 144.16 28.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.564 1.165 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.659 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 37.1 p90 -160.07 179.97 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.35 150.14 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 HG13 ' A' ' 3' ' ' ILE . 7.3 p -134.46 130.01 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -131.53 145.29 51.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 15.8 p90 -154.38 158.5 40.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.3 m-20 -88.05 78.98 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 75.8 -57.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.25 112.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.415 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.89 106.36 55.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.817 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.5 m -119.41 -169.09 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -71.73 -57.15 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.654 ' NZ ' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -61.44 -41.71 97.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.11 -50.9 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 31' ' ' SER . 72.2 t -63.33 -31.29 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -61.38 -34.95 76.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -61.8 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.077 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -47.51 73.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.806 HD12 HG12 ' A' ' 35' ' ' VAL . 19.9 mt -51.51 -35.1 38.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.697 HG21 ' CB ' ' A' ' 47' ' ' LYS . 3.4 t -64.9 -42.21 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.33 61.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -77.14 -51.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.74 -36.06 65.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.8 t-20 65.71 61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.06 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.29 -177.39 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -64.59 116.33 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.697 ' CB ' HG21 ' A' ' 40' ' ' VAL . 10.8 ptmt -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 49' ' ' VAL . 32.8 m -96.55 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 70' ' ' ILE . 4.8 tt -134.31 134.84 42.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.805 HG11 ' OD1' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -153.32 175.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.2 t -108.8 156.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.34 -56.97 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.16 167.59 12.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -151.62 171.32 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 128.85 10.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.79 147.13 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.9 mm -94.2 140.61 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -88.0 -40.23 14.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.27 2.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.2 ptpt -120.55 -154.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.4 mt -103.47 53.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -119.44 158.48 26.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.225 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -146.58 126.4 13.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.93 141.95 35.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.41 172.62 36.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -125.05 138.21 54.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.659 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -103.46 161.71 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 149.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.605 HD11 HD12 ' A' ' 50' ' ' LEU . 77.6 mt -144.74 141.99 23.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.775 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 2.0 t80 -118.19 -175.05 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -105.78 -55.78 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.48 131.63 40.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.15 -19.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -50.3 73.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.775 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -71.82 -52.8 15.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.453 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 4.5 ttp -51.48 -46.06 62.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.644 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -53.85 -28.79 37.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -92.88 -61.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 ' OH ' ' A' ' 71' ' ' TYR . 13.6 mt -50.45 -79.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.915 ' HG2' HG11 ' A' ' 85' ' ' VAL . 3.1 mp0 -45.8 171.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -118.37 168.28 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.77 -21.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.915 HG11 ' HG2' ' A' ' 81' ' ' GLU . 57.2 t -70.62 -42.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -72.14 -21.1 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.67 -51.6 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.231 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HZ3' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -48.94 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.805 ' OD1' HG11 ' A' ' 51' ' ' VAL . 1.1 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 22' ' ' THR . 6.5 mt -111.29 143.72 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.03 126.73 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 HD11 ' CG1' ' A' ' 42' ' ' VAL . 16.0 mm -79.43 132.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -91.73 -58.61 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -142.22 163.39 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -134.07 94.93 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 157.41 17.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -130.94 134.61 46.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 9.8 m-80 -122.4 91.41 49.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.16 2.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mp -44.92 -62.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . 11.7 mt -92.41 24.33 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' HG2' ' ND2' ' A' ' 72' ' ' ASN . 0.7 OUTLIER 38.08 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . 7.3 mtm-85 -109.59 177.54 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 128.68 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.268 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -116.64 103.21 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.75 127.94 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 146.12 30.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.778 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 30.0 p90 -160.55 -179.97 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -133.6 160.84 36.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.911 HG13 ' HB3' ' A' ' 64' ' ' ALA . 3.3 p -133.12 129.33 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -110.97 141.42 44.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -177.05 152.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -131.79 93.13 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 163.04 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -164.12 141.58 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -78.16 143.56 65.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HG2' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.0 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.738 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m -100.7 -174.7 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.09 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.606 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -72.13 -56.43 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.92 -43.99 97.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -32.75 69.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.958 HG12 HD12 ' A' ' 39' ' ' LEU . 16.5 t -78.4 -45.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.34 -29.62 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -57.24 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -74.77 -48.58 24.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.958 HD12 HG12 ' A' ' 35' ' ' VAL . 19.7 mt -50.99 -33.69 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.5 t -63.05 -44.8 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.21 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.585 ' CG1' HD11 ' A' ' 5' ' ' ILE . 91.4 t -72.71 -52.58 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD12 HD11 ' A' ' 50' ' ' LEU . 46.3 mt -73.9 -27.49 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 52.65 58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 -172.75 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.41 ' HB3' HG22 ' A' ' 49' ' ' VAL . 12.5 t-20 -66.19 102.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.77 -24.62 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.09 -47.58 85.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 19.0 m -110.04 57.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.4 tt -135.89 135.49 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG11 ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -153.59 172.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.9 t -107.1 151.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -88.7 -57.03 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.51 160.81 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -135.59 171.41 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.14 131.62 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -76.54 140.36 41.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 17.3 mm -87.42 132.21 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -77.92 -47.0 19.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.71 -51.05 1.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.8 ptpt -139.01 -152.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.6 mt -98.66 40.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -96.19 172.77 7.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.911 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -158.51 121.22 3.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.8 143.68 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.226 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.55 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -156.19 161.88 31.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.468 ' CD2' ' C ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -116.25 131.9 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -104.13 129.0 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -116.38 142.84 46.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -135.84 135.8 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 4.4 p90 -113.45 166.99 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -73.29 -55.21 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.42 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.61 150.67 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.222 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.5 mt-10 -57.7 -20.7 35.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -60.42 -50.3 74.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.93 -52.91 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 ttp -50.42 -51.32 47.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.636 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.64 -28.95 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 m -96.7 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 81' ' ' GLU . 13.9 mt -44.15 -73.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 1.002 ' HG2' HG11 ' A' ' 85' ' ' VAL . 1.5 mp0 -47.31 172.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' VAL . 19.7 p -123.17 163.37 20.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -48.38 -26.74 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -65.14 -38.49 90.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 1.002 HG11 ' HG2' ' A' ' 81' ' ' GLU . 14.0 t -75.21 -65.6 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -48.26 -24.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -46.54 80.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.8 ptmt -62.78 -34.72 77.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.642 ' OD1' HG11 ' A' ' 51' ' ' VAL . 16.4 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' A' ' 21' ' ' PHE . 10.3 mt -120.42 144.56 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.96 127.33 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 21' ' ' PHE . 31.0 mm -80.18 130.23 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.7 mm -89.74 -58.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -145.44 164.56 31.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.25 99.36 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 154.66 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -132.94 131.97 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ARG . 44.0 m-80 -127.8 91.45 45.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.51 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.16 -14.48 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.5 40.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -129.0 160.72 31.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -130.79 126.52 36.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 15.6 mt-10 -117.45 117.86 30.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.42 123.0 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.66 136.99 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 39' ' ' LEU . 8.7 p90 -159.69 -179.67 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -131.71 156.05 46.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.783 ' CG1' HD11 ' A' ' 55' ' ' LEU . 1.9 p -138.31 130.53 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.98 156.73 42.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.961 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.56 -172.86 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.12 84.9 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.32 154.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.96 99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -84.5 147.13 48.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m -110.34 179.97 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -69.42 -55.67 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -62.17 -30.63 71.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 0.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.1 OUTLIER -77.35 -28.33 52.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 31' ' ' SER . 10.9 t -81.33 -55.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.655 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -51.29 -25.34 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -52.05 -49.97 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.7 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.904 HD21 ' CE2' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -53.8 -34.04 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.5 t -55.17 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 -43.11 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.53 -51.33 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -75.18 -31.95 61.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.2 t-20 56.57 50.66 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.71 -170.67 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.86 98.56 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.53 -23.6 58.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.84 -59.73 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.1 m -99.25 53.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.677 HD12 ' CD1' ' A' ' 70' ' ' ILE . 1.8 tt -135.8 135.25 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 89' ' ' ASN . 1.4 t -153.48 175.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.523 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -106.36 150.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -55.77 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.86 160.87 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD11 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -134.69 170.95 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -161.95 122.07 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.85 145.75 55.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 23.1 mm -93.55 133.15 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' GLY . 56.2 t80 -76.04 -49.31 17.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -37.16 -61.0 1.02 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.2 ptpt -127.8 -153.03 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 0.713 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -99.93 44.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -98.86 172.21 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.641 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -155.48 118.07 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.2 tt0 -101.82 143.03 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.58 160.25 32.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.527 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -105.25 134.28 48.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.38 128.46 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.185 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' NZ ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -128.19 145.34 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.677 ' CD1' HD12 ' A' ' 50' ' ' LEU . 12.5 mt -136.76 143.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -101.27 178.45 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.99 -41.24 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.54 133.91 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.2 mt-10 -53.21 -19.76 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 2.4 mmpt? -56.54 -50.63 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -75.91 -53.05 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.652 ' CG ' HD21 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -50.08 -44.46 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -54.18 -27.77 36.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.8 m -99.96 -65.68 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 81' ' ' GLU . 16.2 mt -51.86 -81.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.743 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.75 148.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 p -99.19 162.68 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -53.65 -20.53 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -50.53 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.743 HG11 ' HG2' ' A' ' 81' ' ' GLU . 50.0 t -61.73 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.652 HD21 ' CG ' ' A' ' 77' ' ' MET . 23.7 mt -74.41 -31.24 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -49.18 -43.33 42.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.52 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.564 ' HB2' HG11 ' A' ' 51' ' ' VAL . 1.2 t-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 22' ' ' THR . 9.9 mt -132.29 146.7 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 127.09 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.546 HD13 ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm -81.89 134.11 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mm -94.05 -61.83 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -135.7 158.53 44.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.27 98.8 4.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 158.76 17.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -130.43 135.52 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ARG . 37.0 m-80 -129.99 91.51 39.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.53 2.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.22 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.92 -9.16 54.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.06 47.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.586 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -125.99 169.49 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -123.96 142.43 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.79 91.33 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.3 mt -122.52 117.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.16 137.81 32.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.869 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 18.9 p90 -154.16 -179.77 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -138.52 160.02 40.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.931 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.8 p -132.25 131.04 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.76 129.46 56.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -169.71 147.98 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.721 ' HA ' HD22 ' A' ' 62' ' ' LEU . 3.1 p30 -125.91 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.93 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.75 143.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 5.5 t -73.78 130.22 83.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.99 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.0 m -159.46 -178.28 7.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.44 -53.4 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.12 -39.38 89.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -64.8 -34.68 78.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.8 HG12 HD12 ' A' ' 39' ' ' LEU . 24.0 t -79.75 -45.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -52.56 -28.93 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -51.58 -54.47 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -71.85 -51.07 24.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.869 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 17.8 mt -51.46 -33.36 30.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.7 t -59.76 -42.92 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.85 64.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 38' ' ' LYS . 39.8 t -67.35 -51.01 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.97 -33.11 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.6 t-20 56.31 64.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.69 -170.65 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.07 100.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -62.67 -23.94 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.79 -53.73 54.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.4 m -105.65 58.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 70' ' ' ILE . 2.1 tt -136.31 135.64 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.53 173.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.44 148.27 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -56.93 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.82 161.64 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -136.5 168.85 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.74 125.91 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.1 145.44 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 27.8 mm -96.35 132.05 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -79.26 -46.55 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.98 -49.18 2.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.4 ptpt -143.66 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 26' ' ' ASP . 2.0 mt -98.6 50.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.8 OUTLIER -107.36 168.16 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.931 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -156.51 119.79 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.91 144.02 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.0 147.02 12.14 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -94.66 140.65 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.606 0.827 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 141.85 36.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -133.17 141.46 48.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 50' ' ' LEU . 36.3 mt -140.14 138.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.636 ' OH ' HD12 ' A' ' 80' ' ' ILE . 2.6 t80 -113.73 -175.59 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -106.82 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 124.4 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 37.4 mt-10 -64.45 -19.52 65.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.14 -46.98 84.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -52.97 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -53.09 -45.68 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 111.053 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.636 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -50.09 -30.11 10.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.9 m -92.49 -61.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.636 HD12 ' OH ' ' A' ' 71' ' ' TYR . 6.0 mt -39.35 -67.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.701 ' HG3' HG21 ' A' ' 85' ' ' VAL . 3.1 mm-40 -81.96 -173.39 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 p -129.81 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.31 -21.01 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -55.8 -50.81 69.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.701 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -82.84 -46.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -57.45 -21.15 35.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -58.55 -52.6 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mppt? -49.02 -57.86 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.589 HD13 ' CD2' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -112.35 148.57 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -135.8 128.63 31.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 136.69 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.39 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -136.16 164.57 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -133.92 92.64 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.97 16.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -143.04 119.96 11.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -119.92 91.81 45.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.577 1.83 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.9 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.33 -12.47 42.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 67.34 58.25 0.55 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -179.17 129.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.4 ttt180 -84.88 132.58 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -115.92 114.77 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' SER . 5.6 mt -121.91 144.14 32.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.79 ' HZ3' ' CD ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -108.05 140.74 40.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.842 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 6.5 p90 -156.4 -179.15 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.444 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -143.82 156.81 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 3' ' ' ILE . 10.5 p -134.35 132.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.08 139.13 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 27' ' ' ALA . 11.8 p90 -177.09 -177.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -104.63 87.82 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.602 ' O ' ' CE1' ' A' ' 25' ' ' PHE . . . 48.28 -102.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . 38.78 74.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 102.81 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.771 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.86 162.07 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.694 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.7 mt -68.46 -55.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -30.36 70.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.32 -33.63 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.208 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 31' ' ' SER . 25.2 t -77.6 -38.89 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -56.53 -29.73 62.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -59.73 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.87 -48.98 56.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.842 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 20.7 mt -51.53 -33.8 33.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.1 t -61.33 -44.16 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.67 62.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 38' ' ' LYS . 93.2 t -70.11 -52.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.8 -27.59 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.2 t-20 50.96 65.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.49 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' HG22 ' A' ' 49' ' ' VAL . 47.8 t-20 -66.53 109.39 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -68.56 -21.56 64.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.94 -53.03 61.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 33.2 m -109.01 63.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 HG23 ' A' ' 40' ' ' VAL . 6.2 tt -136.25 135.33 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -153.81 173.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.694 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.9 t -108.31 150.66 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -57.26 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.77 157.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -134.3 168.83 18.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 133.76 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -74.41 138.83 43.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 28.5 mm -85.2 134.11 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -80.85 -36.73 31.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.77 -45.34 24.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -146.4 -150.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mt -98.86 37.77 1.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -95.1 171.86 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.29 122.08 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.79 ' CD ' ' HZ3' ' A' ' 20' ' ' LYS . 4.3 tt0 -101.73 143.49 31.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.554 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.28 167.01 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -120.38 138.19 53.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.26 131.25 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 144.76 49.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' ARG . 32.4 mt -137.4 134.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.55 ' CZ ' ' HE1' ' A' ' 77' ' ' MET . 3.1 p90 -114.19 148.11 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -81.92 -42.26 19.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -134.06 126.3 29.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -24.04 67.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.445 ' HD3' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.15 -45.0 71.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -52.8 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.55 ' HE1' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttp -54.44 -52.47 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.748 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.27 -30.63 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -90.47 -63.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 81' ' ' GLU . 11.5 mt -45.47 -73.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.887 ' HG2' HG11 ' A' ' 85' ' ' VAL . 6.5 mp0 -51.87 179.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -124.1 -158.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -83.2 -24.57 32.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -38.96 81.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.887 HG11 ' HG2' ' A' ' 81' ' ' GLU . 14.8 t -75.22 -65.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -47.71 -24.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -56.46 -52.36 65.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -65.25 -33.55 76.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.7 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.41 143.46 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.49 128.04 42.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 42' ' ' VAL . 30.6 mm -78.49 135.45 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mm -99.11 -57.89 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -144.95 160.54 41.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.12 94.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 158.15 16.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -126.3 130.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 18' ' ' GLU . 2.0 m-80 -120.82 91.54 47.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.11 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.92 -15.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.64 30.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 19.1 mtm105 -115.04 179.11 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 126.02 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 27.4 mt-10 -104.64 101.74 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -124.89 121.4 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 146.34 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.76 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 37.2 p90 -158.65 -179.97 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.06 161.46 28.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.728 HG13 ' HB3' ' A' ' 64' ' ' ALA . 1.5 p -139.17 122.44 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -112.79 138.46 49.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -173.48 147.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.716 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.07 84.59 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.43 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -173.72 156.1 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.4 127.15 91.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -90.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -160.38 162.23 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 mt -60.2 -53.99 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 1.4 tttt -57.57 -49.57 75.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.33 -34.64 68.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.2 t -78.1 -33.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.83 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -66.37 -27.98 68.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.94 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.1 -36.87 83.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.76 HD21 ' CZ ' ' A' ' 21' ' ' PHE . 38.0 mt -55.34 -37.0 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 36' ' ' LYS . 75.8 t -63.8 -42.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.27 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 5' ' ' ILE . 41.6 t -76.56 -52.63 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.26 -37.65 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.9 t-20 70.16 56.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.27 -170.32 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -61.86 141.33 58.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.566 ' CB ' HG21 ' A' ' 40' ' ' VAL . 12.4 ptmt -102.64 -22.08 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.22 -51.17 48.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.218 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 49' ' ' VAL . 13.0 m -99.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD12 ' CD1' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -136.16 134.53 38.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.77 174.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' H ' HG12 ' A' ' 51' ' ' VAL . 2.1 t -106.24 156.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -57.28 2.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -163.58 162.32 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 171.96 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -157.4 126.16 5.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -90.18 128.55 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -71.95 134.81 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -84.26 -43.17 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.65 -54.88 4.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.0 -145.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.7 mt -116.0 43.31 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -106.03 172.08 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.728 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.38 136.25 9.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.1 tt0 -122.01 139.82 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.01 35.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 11.9 t80 -119.35 138.78 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.576 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -103.67 158.42 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' NZ ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -139.82 150.21 44.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.658 ' CD1' HD12 ' A' ' 50' ' ' LEU . 72.8 mt -142.7 136.14 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.582 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -109.39 -177.19 3.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -108.29 -42.55 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.97 124.4 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.64 -19.87 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 2.6 mmpt? -58.77 -43.59 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.35 -51.78 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.569 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 6.5 ttp -54.74 -49.56 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.619 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.32 -50.74 21.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -73.65 -61.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.46 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 81' ' ' GLU . 7.5 mt -40.16 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.66 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.6 mm-40 -84.88 -174.44 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -130.55 -169.76 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -61.64 -19.72 62.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -50.93 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.66 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -78.92 -42.71 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -64.51 -19.66 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -62.72 -53.14 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -62.52 -33.41 74.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.462 ' HA ' HG11 ' A' ' 51' ' ' VAL . 15.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.52 HG13 HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -121.43 146.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.58 128.83 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.9 mm -76.67 141.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.4 mm -105.6 -57.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -139.96 162.8 34.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 9.3 p-10 -134.04 87.37 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.98 154.73 17.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.31 132.49 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ARG . 5.4 m-80 -122.27 91.43 49.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.43 -69.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.633 HD22 HH21 ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.14 -18.63 62.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 80.81 33.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.633 HH21 HD22 ' A' ' 14' ' ' LEU . 31.2 mtm180 -126.22 166.05 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.12 126.19 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.45 106.69 16.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.18 132.99 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.636 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.75 142.26 44.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.188 . . . . 0.0 109.369 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 1.205 ' CE1' HD21 ' A' ' 39' ' ' LEU . 3.0 p90 -156.6 -179.62 8.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.26 159.08 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.577 ' CG1' HD11 ' A' ' 55' ' ' LEU . 7.5 p -146.34 132.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -133.65 150.49 51.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -160.72 166.22 29.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -118.27 103.34 9.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . 63.36 155.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' ALA . . . 72.81 100.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -96.8 115.65 65.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.69 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.8 m -127.72 177.76 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.441 HG23 ' HB ' ' A' ' 52' ' ' VAL . 2.0 mt -65.46 -52.82 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -27.64 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.842 HG12 HD12 ' A' ' 39' ' ' LEU . 3.5 t -78.94 -38.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.395 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.03 -27.32 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -56.2 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.741 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.39 -50.73 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.205 HD21 ' CE1' ' A' ' 21' ' ' PHE . 16.5 mt -51.35 -34.79 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.6 t -59.58 -43.16 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.25 64.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 38' ' ' LYS . 21.2 t -67.47 -52.52 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -74.15 -33.0 63.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.2 t-20 57.13 63.24 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.38 -175.3 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.39 103.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HB2' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.95 -25.45 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -58.88 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 49' ' ' VAL . 23.0 m -91.82 52.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.7 OUTLIER -133.42 135.53 44.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -153.41 175.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.45 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -105.53 146.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -170.81 161.52 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.585 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -138.26 172.43 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.23 123.87 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.9 145.08 48.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 21.3 mm -93.24 131.67 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -76.16 -48.59 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.3 -59.73 1.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.8 ptpt -128.49 -154.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.5 mt -98.43 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -96.84 170.41 9.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.585 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -158.23 116.58 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.3 tt0 -101.99 142.3 33.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.79 172.32 35.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.636 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.2 t80 -118.22 129.72 55.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . . . -103.94 128.55 51.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.618 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -117.03 150.37 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.1 mt -123.79 136.36 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.618 ' CE2' ' NZ ' ' A' ' 69' ' ' LYS . 45.8 m-85 -95.99 174.09 7.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.72 -44.09 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.52 125.71 7.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.23 -19.66 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -49.91 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -72.55 -53.1 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 1.2 ttp -49.99 -45.11 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.32 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -99.85 -65.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.3 mt -40.42 -71.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HG3' HG21 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -57.95 175.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -129.01 168.12 16.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.41 -23.55 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -48.01 80.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.92 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 81' ' ' GLU . 95.7 t -71.09 -46.2 68.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.49 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -63.57 -53.71 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -67.74 -32.8 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 33.4 t30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.222 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.606 HD13 ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -119.29 148.85 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.63 130.65 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.868 HD11 ' CG1' ' A' ' 42' ' ' VAL . 21.6 mm -79.7 134.88 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.19 -61.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -135.15 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.42 97.7 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 150.73 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -134.05 125.09 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.76 91.58 26.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.48 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.5 -59.95 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 mt -92.39 25.03 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 38.06 49.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.542 HH21 ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -130.97 172.92 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' LYS . 1.9 ttt180 -138.58 124.8 20.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.17 114.48 24.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.42 1.075 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.38 122.09 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 1.5 tppt? -91.32 134.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 15.0 p90 -146.72 -179.64 6.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 111.035 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -139.84 166.05 25.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.075 HG13 ' HB3' ' A' ' 64' ' ' ALA . 10.6 p -143.05 133.93 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.0 132.28 56.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' C ' ' A' ' 27' ' ' ALA . 1.8 p90 -177.15 155.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -106.39 82.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 176.17 -155.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.14 138.82 50.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.6 m -56.66 143.63 67.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.919 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.0 m -147.22 178.15 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.723 HG23 HG12 ' A' ' 52' ' ' VAL . 1.8 mt -67.36 -53.99 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.07 -44.47 91.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -32.4 69.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.971 HG12 HD12 ' A' ' 39' ' ' LEU . 69.1 t -78.75 -39.82 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -60.21 -27.14 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -64.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.8 -35.66 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.971 HD12 HG12 ' A' ' 35' ' ' VAL . 17.5 mt -62.78 -31.06 71.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.2 t -64.35 -40.3 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.868 ' CG1' HD11 ' A' ' 5' ' ' ILE . 42.6 t -72.85 -51.3 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 70' ' ' ILE . 38.4 mt -72.47 -35.3 68.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.97 74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -156.71 -170.5 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -70.3 109.21 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.605 ' CB ' HG21 ' A' ' 40' ' ' VAL . 10.6 ptmt -67.1 -24.3 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.19 -53.95 52.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.53 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 50' ' ' LEU . 3.3 tt -136.13 140.62 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.55 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -155.12 170.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.723 HG12 HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.85 142.55 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -57.25 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -174.14 167.47 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -143.16 169.97 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.91 118.36 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -78.52 123.58 27.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.416 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 1.4 mt -63.85 135.47 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.32 -48.55 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.68 -63.19 0.88 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.567 1.167 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -115.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 0.729 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.9 mt -112.63 45.15 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -102.25 173.92 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.075 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -157.69 134.6 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.14 141.93 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.56 167.03 35.61 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -115.87 131.61 56.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.966 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -106.41 126.09 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.05 147.13 45.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 43' ' ' LEU . 8.9 mt -129.72 133.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 80.9 m-85 -89.1 -178.56 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.48 -46.01 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.4 129.77 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.7 OUTLIER -49.85 -22.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.35 74.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -51.42 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 9.4 ttp -52.23 -46.61 65.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 74' ' ' GLU . . . -47.06 -30.57 2.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.7 m -100.04 -58.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.542 ' CG2' HH21 ' A' ' 16' ' ' ARG . 5.2 mt -39.76 -66.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.68 ' HG3' HG11 ' A' ' 85' ' ' VAL . 2.7 mm-40 -84.59 -175.06 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.4 p -133.59 -179.16 5.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.445 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -25.88 15.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -50.81 69.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.68 HG11 ' HG3' ' A' ' 81' ' ' GLU . 2.4 t -78.39 -50.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -53.14 -26.23 16.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -43.62 76.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -52.14 -68.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.55 ' HB2' HG11 ' A' ' 51' ' ' VAL . 8.6 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.475 HG23 ' HD2' ' A' ' 21' ' ' PHE . 4.0 mt -127.43 147.59 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.18 126.78 38.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' ' 21' ' ' PHE . 28.6 mm -81.26 137.14 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.5 mm -96.64 -61.71 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 19' ' ' ILE . 5.7 p -145.09 168.68 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -134.45 108.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 158.2 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -127.18 142.12 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' ARG . 30.1 m-80 -135.66 91.4 18.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.01 -33.85 4.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.9 mp -40.22 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -6.23 53.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 70.01 49.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -122.61 168.04 12.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -137.13 115.19 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -110.79 117.22 32.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 7' ' ' SER . 5.7 mt -124.32 125.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -90.45 135.67 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 11.8 p90 -150.26 -179.67 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER -134.66 156.7 48.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.047 HG13 ' HB3' ' A' ' 64' ' ' ALA . 4.1 p -135.26 128.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -115.84 141.88 47.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HE1' ' HB2' ' A' ' 64' ' ' ALA . 12.0 p90 -176.47 146.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.694 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -127.35 94.84 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.14 -81.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.35 156.09 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.81 115.29 50.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -161.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.96 173.88 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.61 -55.12 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -30.63 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -79.77 -30.11 40.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG12 HD12 ' A' ' 39' ' ' LEU . 2.8 t -79.23 -47.39 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.43 -28.05 7.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.12 -57.41 9.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.98 -49.88 59.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.993 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 18.9 mt -51.52 -35.93 42.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.6 t -60.84 -44.67 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.51 62.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 38' ' ' LYS . 97.0 t -69.15 -52.87 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 70' ' ' ILE . 22.0 mt -75.09 -35.1 61.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.2 t-20 66.42 50.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.44 -174.98 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.84 125.3 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' CB ' HG21 ' A' ' 40' ' ' VAL . 1.7 ptmt -85.89 -14.15 45.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.59 -46.08 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' ILE . 25.0 m -109.89 52.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 70' ' ' ILE . 4.6 tt -136.23 135.02 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.19 164.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.54 144.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.81 -52.28 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.72 146.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.881 HD21 HG11 ' A' ' 23' ' ' VAL . 3.8 tp -114.56 168.95 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.37 109.01 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -79.99 120.0 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.3 mt -66.01 128.68 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -76.55 -33.66 58.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.145 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.6 -43.79 53.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.9 ptpt -135.62 -145.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.1 mt -116.9 43.7 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -104.56 167.1 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.047 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -146.9 132.53 18.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -128.62 131.14 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.75 173.2 35.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -109.04 135.03 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.508 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -108.24 124.35 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HE3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.67 150.18 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.669 ' CD1' HD12 ' A' ' 50' ' ' LEU . 15.8 mt -134.25 132.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 18.1 m-85 -88.04 171.62 10.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -101.75 -33.61 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -160.65 143.95 13.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.23 -34.28 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -53.83 -44.64 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.23 -52.43 12.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.614 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttp -54.34 -47.37 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.24 -43.14 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.6 m -82.57 -64.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.063 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.428 ' CG2' ' NH2' ' A' ' 16' ' ' ARG . 6.4 mt -40.04 -60.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.593 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.3 mm-40 -92.13 -179.34 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.485 ' O ' HD22 ' A' ' 86' ' ' LEU . 11.3 p -130.64 -157.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.18 -14.52 63.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -50.86 71.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.609 1.193 . . . . 0.0 109.993 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.593 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.1 t -82.37 -45.52 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -58.14 -22.62 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -57.16 -47.88 80.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.249 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 11.0 mtpt -52.02 -68.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mt -117.48 131.52 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.2 126.24 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.602 HD11 HG11 ' A' ' 42' ' ' VAL . 35.2 mm -77.92 132.4 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mm -95.39 -56.4 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 109.233 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.1 p -138.68 159.73 41.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -134.05 91.51 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.43 149.1 26.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -124.34 137.96 54.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 18' ' ' GLU . 26.3 m-80 -127.35 91.37 46.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.42 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.51 -19.2 65.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 23.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.694 HH21 ' HG3' ' A' ' 69' ' ' LYS . 56.9 mtp180 -117.86 171.52 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.5 tpt180 -116.27 142.54 46.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 5.8 mt-10 -129.87 93.3 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 7' ' ' SER . 4.8 mt -124.75 130.38 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.98 144.59 35.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.672 ' HE2' ' HB2' ' A' ' 68' ' ' ALA . 23.1 p90 -160.96 -179.74 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -127.86 153.58 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.804 ' CG1' HD11 ' A' ' 55' ' ' LEU . 2.2 p -137.8 131.32 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.07 148.61 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -154.01 -172.9 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 4.7 m-20 -122.32 89.17 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 70.63 -60.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.51 109.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -103.29 106.66 52.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HB2' HG23 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.04 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m -132.58 -167.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.532 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.27 -57.33 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.54 -44.33 87.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.0 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.7 t -78.6 -42.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -49.25 -32.26 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -53.63 36.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.12 -47.21 59.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.521 ' CD1' HG12 ' A' ' 35' ' ' VAL . 62.4 mt -51.01 -41.08 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.667 HG21 ' CB ' ' A' ' 47' ' ' LYS . 7.5 t -55.37 -42.53 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.19 62.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 5' ' ' ILE . 76.3 t -63.96 -52.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.717 HD12 HD11 ' A' ' 70' ' ' ILE . 21.4 mt -75.14 -41.21 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.8 t-20 73.4 51.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.39 -169.4 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -75.19 116.48 15.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.667 ' CB ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.51 -26.25 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.76 -38.62 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 4.0 m -122.41 62.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 36' ' ' LYS . 2.8 tt -136.05 134.43 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.4 t -153.23 172.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.1 t -110.29 153.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -83.14 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -176.95 159.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.804 HD11 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -133.69 170.5 15.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.38 124.59 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -70.51 139.86 51.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.435 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 26.2 mm -89.16 132.87 32.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLY . 34.6 t80 -76.24 -49.41 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -36.67 -54.19 1.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.6 ptpt -134.78 -151.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.9 mt -101.59 40.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -95.46 174.01 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.563 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -160.81 119.36 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -101.95 142.68 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.24 173.5 37.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.5 t80 -120.75 151.96 38.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.672 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -121.06 151.14 40.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.694 ' HG3' HH21 ' A' ' 16' ' ' ARG . 0.0 OUTLIER -141.11 150.4 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.717 HD11 HD12 ' A' ' 43' ' ' LEU . 30.5 mt -139.77 133.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.8 p90 -115.19 150.81 35.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -79.64 -36.5 37.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.17 144.22 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.88 -30.81 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' CD ' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -53.9 -41.76 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.18 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.605 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.2 ttp -54.63 -50.71 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.432 ' O ' HD11 ' A' ' 86' ' ' LEU . . . -46.69 -44.14 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 m -76.39 -54.26 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 81' ' ' GLU . 6.6 mt -41.06 -70.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.675 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.2 mm-40 -86.58 175.38 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -105.63 -167.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.86 -27.12 66.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -56.3 -47.61 78.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.675 HG21 ' HG3' ' A' ' 81' ' ' GLU . 3.5 t -79.93 -53.03 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 78' ' ' ALA . 11.3 mt -55.27 -21.01 12.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -59.97 -53.79 53.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.2 ptmt -52.43 -34.42 48.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.0 mt -122.0 145.16 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 131.88 25.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mm -81.42 133.99 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -96.98 -58.39 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 19' ' ' ILE . 51.1 m -143.19 164.43 30.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -134.42 97.82 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.3 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -116.64 126.67 53.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.43 91.63 49.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.86 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -50.16 -61.62 2.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.63 -16.31 62.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 59.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.607 ' HD2' ' HZ3' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -177.88 142.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.8 ttt180 -108.56 141.16 40.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.574 1.172 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -126.05 121.7 33.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' SER . 6.6 mt -122.55 123.5 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -88.8 134.94 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 1.093 ' CE1' HD21 ' A' ' 39' ' ' LEU . 5.1 p90 -155.81 -179.43 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -130.45 156.83 44.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.791 HG11 HD11 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -142.23 129.56 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -131.1 156.72 44.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -154.79 -176.51 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.9 m-20 -101.43 80.57 2.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' ASP . . . 59.29 155.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.47 136.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -113.21 141.99 26.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -90.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m 179.94 -179.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.16 -57.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -58.46 -35.03 71.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.77 -27.58 60.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 31' ' ' SER . 3.0 t -81.43 -55.33 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.208 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.05 -25.49 3.46 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -52.27 -52.7 51.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -51.28 42.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.093 HD21 ' CE1' ' A' ' 21' ' ' PHE . 1.3 mt -51.98 -37.28 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.68 ' CG2' HD22 ' A' ' 50' ' ' LEU . 2.2 t -55.39 -39.33 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.93 58.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.61 -51.51 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.52 -31.7 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' VAL . 15.5 t-20 55.02 55.58 7.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.5 -170.49 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -73.7 98.84 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -22.94 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.56 -64.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 70' ' ' ILE . 26.7 m -97.08 55.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD12 ' CD1' ' A' ' 70' ' ' ILE . 3.4 tt -134.82 134.41 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.938 HG11 ' HB3' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -154.56 176.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t -109.29 150.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.06 161.89 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.791 HD11 HG11 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -140.08 169.47 17.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.17 115.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -78.06 122.76 26.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.4 mt -63.61 142.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -87.3 -47.21 9.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.41 -56.38 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.5 ptpt -122.76 -153.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -107.19 44.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -102.15 171.51 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -159.31 135.82 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -124.43 141.52 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.12 161.26 31.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -106.02 132.87 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 0.824 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.63 124.55 49.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.607 ' HZ3' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -124.25 148.82 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.723 ' CD1' HD12 ' A' ' 50' ' ' LEU . 49.8 mt -138.73 140.02 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -100.02 141.01 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.81 -37.69 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.91 134.67 5.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.3 mp0 -58.37 -19.29 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.12 -44.27 83.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -80.97 -53.94 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -50.7 -44.35 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -51.8 -31.55 27.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -99.97 -66.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 29.7 mt -46.67 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.89 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -45.38 153.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 p -109.09 169.51 8.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -52.44 -23.98 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.89 HG11 ' HG2' ' A' ' 81' ' ' GLU . 39.5 t -74.04 -51.65 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -61.84 -23.33 66.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 1.067 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.64 -49.75 74.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -49.31 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.938 ' HB3' HG11 ' A' ' 51' ' ' VAL . 8.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 39' ' ' LEU . 1.3 mt -115.32 144.97 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.14 125.29 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 21' ' ' PHE . 19.0 mm -82.11 133.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 mm -98.24 -58.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.87 162.95 33.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.19 100.94 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 159.21 17.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -133.91 132.45 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.4 m-80 -124.06 91.51 49.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.531 1.806 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.9 -63.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -92.02 25.5 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.51 33.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 16.9 mtm-85 -107.41 168.95 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.9 123.52 37.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.18 125.7 71.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -117.56 139.04 51.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.688 ' HB3' HD13 ' A' ' 5' ' ' ILE . 3.1 p90 -159.95 179.89 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -125.31 157.3 37.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.1 p -126.7 123.66 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -105.48 138.18 42.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -170.95 145.72 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.582 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.5 p-10 -128.96 99.57 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 170.73 -93.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.92 156.95 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -80.24 123.23 83.31 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -118.61 -170.49 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.474 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.08 -57.2 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -54.56 -51.54 64.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -34.93 59.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 39' ' ' LEU . 2.7 t -78.24 -36.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.83 -20.99 61.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -63.1 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.814 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.704 HD12 HG12 ' A' ' 35' ' ' VAL . 22.7 mt -58.84 -40.37 84.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 36' ' ' LYS . 3.8 t -56.38 -43.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.99 63.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 38' ' ' LYS . 92.3 t -64.94 -52.66 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD12 HD11 ' A' ' 50' ' ' LEU . 70.8 mt -74.65 -40.64 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' VAL . 8.9 t-20 74.13 45.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.71 -170.73 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.49 ' ND2' HG22 ' A' ' 49' ' ' VAL . 14.6 t-20 -65.29 148.77 51.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.5 ' CB ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -110.42 -31.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -61.4 -13.8 22.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG22 ' ND2' ' A' ' 46' ' ' ASN . 31.2 m -138.31 47.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.696 HD12 ' CD1' ' A' ' 70' ' ' ILE . 3.7 tt -136.37 134.05 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 89' ' ' ASN . 1.5 t -153.64 173.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.494 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -107.75 151.09 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.27 -56.6 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -165.99 166.55 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.355 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -147.41 170.83 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -155.86 120.5 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -69.1 144.57 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.5 mm -90.72 130.82 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.91 -25.76 34.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.52 -49.89 69.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -140.74 -151.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.84 44.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.376 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 169.21 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -155.88 120.67 4.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.2 tt0 -101.72 138.57 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.523 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -159.37 168.52 35.31 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 8.9 t80 -117.11 141.98 47.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' TYR . . . -107.19 165.3 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 148.39 32.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.696 ' CD1' HD12 ' A' ' 50' ' ' LEU . 86.9 mt -144.45 143.13 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.778 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 2.1 t80 -121.39 -175.66 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.063 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.98 -55.81 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 130.47 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.39 -19.38 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -58.63 -50.37 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.778 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -71.6 -51.85 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.478 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 1.4 ttp -52.34 -47.37 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.562 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -48.77 -29.21 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.8 m -89.91 -65.28 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.661 HD12 ' OH ' ' A' ' 71' ' ' TYR . 20.6 mt -47.27 -75.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.753 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -43.76 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -120.9 176.88 5.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -60.16 -15.73 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -44.96 36.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.753 HG11 ' HG2' ' A' ' 81' ' ' GLU . 74.1 t -73.41 -54.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -57.47 -25.9 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.77 -49.94 69.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.24 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.715 ' HZ3' ' HA ' ' A' ' 85' ' ' VAL . 1.5 mppt? -49.33 -64.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.586 ' HB2' HG11 ' A' ' 51' ' ' VAL . 64.7 t30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -107.02 142.85 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.85 126.2 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -78.39 134.76 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.1 mm -98.25 -57.12 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -140.22 168.92 18.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -134.23 101.71 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.94 138.65 43.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.093 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -126.32 125.94 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -124.3 91.75 49.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.38 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -47.21 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.66 -14.24 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.92 50.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -160.43 145.92 14.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -105.11 135.66 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -121.9 115.76 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -125.42 136.51 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' CG ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.08 142.3 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.732 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 42.0 p90 -157.1 -179.85 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -130.34 142.09 50.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' HB ' ' CG1' ' A' ' 3' ' ' ILE . 3.4 p -125.07 129.08 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -95.29 139.07 32.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 23' ' ' VAL . 75.4 m-85 -129.09 166.02 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.723 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.5 m-20 -157.89 68.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 160.87 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.87 156.23 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 135.53 47.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.917 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.2 m -159.98 -176.92 5.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.073 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.39 -55.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -60.57 -41.66 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' MET . 1.1 t70 -57.46 -35.28 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 31' ' ' SER . 97.3 t -80.09 -51.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.31 -26.79 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 1.2 mtm -51.47 -57.34 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -50.32 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.849 ' CD1' HG12 ' A' ' 35' ' ' VAL . 9.4 mt -50.04 -36.23 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.9 t -58.64 -42.67 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.04 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.51 -51.73 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.71 -33.1 68.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 71.07 63.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.98 -169.89 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -83.33 -172.1 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 49' ' ' VAL . 14.4 ptmt -112.44 -133.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 mt-30 34.72 -95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 6.3 m -40.15 -29.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 51' ' ' VAL . 1.1 tt -83.28 134.73 34.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -154.88 175.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.3 t -104.52 143.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -73.92 -56.94 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.22 160.82 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.486 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -136.45 168.59 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.44 120.58 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.94 140.7 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mm -88.82 134.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.8 -45.95 17.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.4 -48.85 2.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.7 ptpt -144.35 -156.37 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD13 ' OD2' ' A' ' 26' ' ' ASP . 1.8 mt -93.74 39.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.28 165.01 12.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -152.55 132.87 13.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.03 139.71 49.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.28 166.68 33.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.61 ' CD2' ' CG ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -119.44 138.69 52.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 0.822 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.98 145.05 49.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' HD12 ' A' ' 50' ' ' LEU . 77.2 mt -134.91 136.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.196 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.722 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -113.64 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -112.57 -53.15 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 122.97 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 12.4 mt-10 -59.1 -19.38 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -58.76 -43.56 90.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.722 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -76.06 -52.84 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.589 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttt -54.58 -49.45 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.824 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -51.62 -29.48 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 m -91.54 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 mt -46.28 -69.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.875 ' HG2' HG11 ' A' ' 85' ' ' VAL . 2.9 mp0 -57.97 165.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 p -116.57 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -50.1 -26.8 4.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -44.59 82.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.046 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' A' ' 81' ' ' GLU . 47.7 t -79.92 -56.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -52.81 -22.35 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.85 -50.98 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 7.9 mtpt -49.55 -67.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.674 HD13 HD21 ' A' ' 39' ' ' LEU . 3.4 mt -116.26 140.13 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.417 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.83 125.09 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 21' ' ' PHE . 15.9 mm -85.42 129.4 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -94.49 -60.54 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -137.01 158.66 43.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -132.39 87.76 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.12 157.19 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -127.6 138.04 52.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.2 m-80 -116.72 91.82 36.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -45.56 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.56 -14.07 61.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.25 25.37 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.723 HH22 ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -108.54 178.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.04 129.48 50.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' OE1' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 mt-10 -112.11 102.33 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mt -125.15 134.64 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -119.82 135.3 54.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.765 ' HB3' HD13 ' A' ' 5' ' ' ILE . 6.1 p90 -159.74 179.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -124.75 156.43 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 64' ' ' ALA . 6.6 p -132.11 129.5 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.53 140.92 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -141.17 179.85 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 3.6 m-20 -99.72 79.12 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 59.73 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ALA . . . 61.91 128.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.6 t -94.22 147.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.96 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.42 1.747 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.689 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.6 m 177.8 -179.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.488 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -71.99 -57.49 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -58.55 -29.53 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.34 -29.84 34.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' SER . 3.4 t -78.69 -38.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.946 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.4 -21.45 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -61.67 -64.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.65 -31.88 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 3' ' ' ILE . 35.5 mt -59.82 -30.65 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.5 t -54.75 -37.44 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.33 26.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 5' ' ' ILE . 55.4 t -59.03 -51.66 69.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.643 HD12 HD11 ' A' ' 50' ' ' LEU . 15.4 mt -72.27 -38.56 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 67.33 54.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.52 -170.33 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -70.48 135.07 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -19.25 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.695 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.9 mt-30 -98.41 173.39 6.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 48' ' ' GLN . 9.9 m 49.01 25.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.721 HD12 HG12 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -129.63 134.61 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.498 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.6 t -153.53 173.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.498 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -100.45 151.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -86.69 -55.52 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -168.41 159.49 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.414 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.575 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -139.71 169.19 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.05 129.1 3.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.49 146.72 50.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LYS . 34.6 mm -98.69 132.05 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -77.88 -42.29 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.68 -50.74 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' ILE . 4.8 ptpt -142.99 -153.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt -97.59 49.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 167.07 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.575 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -155.23 120.16 4.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.84 141.24 35.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 54' ' ' THR . . . -159.5 157.71 28.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 20' ' ' LYS . 1.2 t80 -103.56 146.52 28.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -117.35 151.65 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.47 143.84 44.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.721 HG12 HD12 ' A' ' 50' ' ' LEU . 30.7 mt -137.76 132.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.624 ' CE1' ' HA ' ' A' ' 49' ' ' VAL . 1.4 p90 -115.04 170.29 8.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -85.09 -37.04 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.73 151.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.3 -19.4 62.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 3.0 mmpt? -56.09 -42.16 76.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.723 ' HB3' HH22 ' A' ' 16' ' ' ARG . . . -77.11 -52.97 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.527 ' N ' HH21 ' A' ' 16' ' ' ARG . 0.9 OUTLIER -51.69 -46.27 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.73 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -95.36 -56.42 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.41 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -40.23 -71.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -93.17 178.83 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 p -121.41 -160.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -62.89 -15.0 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -51.09 70.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 9.0 t -82.57 -41.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -63.26 -18.53 63.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -62.6 -53.56 52.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.0 ptmt -53.97 -34.31 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.0 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.786 HD13 HD21 ' A' ' 39' ' ' LEU . 7.5 mt -134.17 141.61 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.99 127.78 39.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 mm -74.28 140.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -104.66 -56.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' ILE . 2.2 m -141.89 160.06 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -134.31 92.54 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 153.81 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -129.82 121.75 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 16' ' ' ARG . 4.4 p30 -123.1 91.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.03 -32.12 5.6 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.8 mp -40.03 -60.73 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 23.1 mt -79.35 -19.69 49.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 83.6 27.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.696 HH21 ' HA ' ' A' ' 77' ' ' MET . 4.6 mmt-85 -122.68 170.01 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.2 122.96 38.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.81 107.8 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 7' ' ' SER . 4.8 mt -125.06 131.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -104.06 145.36 30.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.646 ' CE1' ' HB2' ' A' ' 68' ' ' ALA . 31.1 p90 -155.81 -179.97 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.464 HG23 ' OE2' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -131.85 159.64 37.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.103 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.5 p -134.89 130.64 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.35 134.33 55.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.2 p90 -171.5 148.64 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.801 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -123.5 89.63 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 175.19 -80.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -169.93 156.39 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -81.72 138.47 47.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.1 m -170.62 177.96 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.518 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -68.62 -57.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -35.81 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.912 HG12 HD12 ' A' ' 39' ' ' LEU . 4.0 t -79.14 -35.73 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -67.22 -24.13 65.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 mmm -57.12 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.877 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.76 -36.75 81.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.912 HD12 HG12 ' A' ' 35' ' ' VAL . 46.7 mt -64.08 -31.24 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 HD22 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -59.8 -45.81 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.67 65.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 38' ' ' LYS . 66.2 t -67.5 -52.58 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.739 HD13 HD11 ' A' ' 70' ' ' ILE . 60.1 mt -73.68 -35.95 65.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.4 t-20 59.11 71.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.49 -173.71 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 49' ' ' VAL . 64.5 t-20 -59.5 118.58 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -26.62 44.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.2 -60.06 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 49' ' ' VAL . 13.7 m -96.11 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -134.88 134.99 41.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.1 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.518 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.2 t -111.42 143.56 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -76.13 -57.18 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.15 162.03 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.551 HD21 HG11 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -142.68 168.35 19.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -162.37 122.64 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.37 126.92 34.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.27 128.82 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -80.8 -29.94 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.94 -55.65 24.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.616 1.198 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.96 -145.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.2 mt -113.2 42.09 1.99 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' OE2' HG23 ' A' ' 22' ' ' THR . 0.3 OUTLIER -105.04 173.37 6.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.103 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.4 136.77 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.4 tt0 -124.59 140.84 52.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 55' ' ' LEU . . . -161.76 164.62 35.33 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -111.97 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.646 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -105.03 126.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HE2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -118.82 138.91 52.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 43' ' ' LEU . 46.3 mt -118.58 132.1 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 77' ' ' MET . 64.0 m-85 -90.73 -177.41 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 4.2 m-20 -133.77 -46.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -144.08 128.04 17.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.46 -29.01 67.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.55 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -71.33 -52.41 18.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.696 ' HA ' HH21 ' A' ' 16' ' ' ARG . 1.2 ttp -52.14 -46.24 65.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.36 -32.9 5.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -99.4 -65.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ALA . 9.5 mt -41.51 -70.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.937 ' HG2' HG11 ' A' ' 85' ' ' VAL . 1.2 mp0 -56.22 167.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -120.17 171.97 8.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -55.96 -18.74 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -41.34 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.937 HG11 ' HG2' ' A' ' 81' ' ' GLU . 3.6 t -76.29 -61.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -50.86 -22.78 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.8 -53.38 58.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 2.1 ptmt -56.56 -34.17 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.2 t-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.551 HD13 ' CD2' ' A' ' 39' ' ' LEU . 5.4 mt -110.89 147.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.56 127.15 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 21' ' ' PHE . 26.3 mm -81.63 133.44 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mm -96.64 -56.9 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -145.75 166.28 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.25 98.83 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.84 155.55 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -131.88 131.12 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' HG3' ' A' ' 18' ' ' GLU . 46.4 m-80 -122.35 91.35 49.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.65 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -41.62 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.84 -13.96 60.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 69.91 53.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.472 HH22 HD12 ' A' ' 80' ' ' ILE . 3.4 mtt85 -140.16 167.18 22.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.03 127.96 55.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 63.6 mt-10 -116.12 101.21 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.77 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -120.24 139.19 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.768 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 2.1 p90 -158.17 -179.89 8.53 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.6 1.187 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.02 155.82 29.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 64' ' ' ALA . 4.9 p -133.12 128.25 55.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.32 144.63 51.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CZ ' ' OG1' ' A' ' 29' ' ' THR . 8.7 p90 -149.41 -173.82 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.4 m-20 -109.03 80.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 70.61 -60.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.77 112.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.517 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.72 101.1 52.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.0 m -115.33 -171.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -71.98 -57.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.3 -35.79 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -36.73 77.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 31' ' ' SER . 39.5 t -77.91 -32.81 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -53.4 -33.31 53.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.27 33.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.01 -44.48 69.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.267 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.768 HD22 ' CZ ' ' A' ' 21' ' ' PHE . 95.2 mt -55.3 -37.41 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 36' ' ' LYS . 3.1 t -56.32 -41.83 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.25 -39.46 63.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 38' ' ' LYS . 60.4 t -63.87 -48.38 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.558 HD12 HD11 ' A' ' 50' ' ' LEU . 38.0 mt -75.37 -44.43 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.6 t-20 67.91 76.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.07 -170.55 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.65 121.51 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -27.33 31.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.1 -39.58 82.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.7 56.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD11 HD12 ' A' ' 43' ' ' LEU . 2.5 tt -136.16 134.58 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.628 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -154.67 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.1 t -112.01 154.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -55.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -166.68 161.61 15.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -141.92 169.12 18.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.33 120.67 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -84.89 130.37 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.24 137.15 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.27 -42.92 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.19 -66.51 1.04 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.4 ptpt -110.43 -144.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -117.14 43.77 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.86 169.82 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.1 133.85 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.96 141.01 48.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.86 161.4 31.86 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -114.53 133.43 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . . . -104.91 137.64 42.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.541 ' NZ ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -132.0 145.39 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.406 HD11 HD13 ' A' ' 43' ' ' LEU . 24.3 mt -131.6 137.25 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CE1' ' NZ ' ' A' ' 69' ' ' LYS . 9.7 m-85 -95.0 -177.12 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -107.91 -56.12 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.94 125.07 14.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 5.8 mp0 -50.83 -21.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -50.55 71.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -76.17 -53.03 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.763 ' CE ' HD11 ' A' ' 86' ' ' LEU . 2.2 ttt -50.06 -53.44 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -46.42 -26.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -99.88 -67.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.472 HD12 HH22 ' A' ' 16' ' ' ARG . 77.6 mt -47.73 -61.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.836 ' CD ' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -46.81 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.445 ' C ' ' OE2' ' A' ' 81' ' ' GLU . 36.3 p -134.44 166.54 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -57.05 -17.57 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.8 -39.86 42.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.404 ' HB ' ' OE1' ' A' ' 81' ' ' GLU . 6.4 t -69.94 -67.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.836 HD22 ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -48.65 -27.41 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.12 -46.7 68.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ASN . 2.0 mppt? -50.05 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.628 ' HB2' HG11 ' A' ' 51' ' ' VAL . 38.8 t-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.707 HD13 HD21 ' A' ' 39' ' ' LEU . 2.0 mt -109.86 141.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 128.13 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 21' ' ' PHE . 37.0 mm -76.38 136.88 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -97.07 -59.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -139.45 170.4 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -133.96 89.93 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.28 142.62 39.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.0 p-10 -127.64 144.36 51.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.21 91.51 41.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.16 3.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -53.02 -59.85 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.911 HD13 HH21 ' A' ' 16' ' ' ARG . 33.7 mt -73.78 -11.14 60.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.54 63.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.911 HH21 HD13 ' A' ' 14' ' ' LEU . 9.7 ptt180 -177.78 142.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 6.2 ttt180 -98.63 128.11 44.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -99.52 93.46 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.458 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 1.9 mm -96.0 144.19 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -124.44 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 9.3 p90 -161.29 -179.08 7.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -136.47 162.95 31.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 11.4 p -142.47 134.52 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.6 145.95 38.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -169.07 164.15 11.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -120.49 96.91 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 75.77 -59.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.07 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -91.96 112.49 55.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.8 m -154.21 -179.01 7.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.673 HG23 HG12 ' A' ' 52' ' ' VAL . 1.8 mt -59.57 -56.93 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.87 -52.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -30.69 62.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.683 HG12 HD12 ' A' ' 39' ' ' LEU . 6.9 t -79.07 -54.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -55.76 -24.8 37.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.948 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -72.7 -33.26 66.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 13.3 mt -65.0 -30.94 71.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -55.24 -46.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -39.38 63.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 38' ' ' LYS . 39.3 t -59.97 -52.6 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.55 HD12 HD11 ' A' ' 50' ' ' LEU . 22.3 mt -78.69 -24.82 44.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 45.3 57.23 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 -172.23 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -62.69 115.69 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HB3' HG22 ' A' ' 40' ' ' VAL . 2.5 ptmt -79.44 -13.55 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -72.67 -42.16 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 m -115.23 50.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.55 HD11 HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -135.4 134.6 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -154.76 175.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.673 HG12 HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -107.98 142.0 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -57.07 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -177.28 165.28 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -133.52 169.07 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.44 122.31 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -63.94 147.03 52.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.9 mm -93.34 134.16 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.87 -33.43 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.41 34.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.153 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.0 ptpt -148.77 -153.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.4 mt -90.37 40.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.62 161.67 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.226 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -145.42 130.71 18.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.8 148.34 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.1 167.01 37.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.578 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 1.1 t80 -115.05 136.72 52.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.07 53.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -124.73 148.14 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.494 HD11 HD13 ' A' ' 43' ' ' LEU . 23.7 mt -130.37 130.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 1.3 m-85 -87.9 141.15 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.15 -29.83 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.84 123.58 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.46 -45.93 84.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.84 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -54.2 -46.1 72.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.621 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.2 -47.03 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.9 m -80.76 -57.24 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 8.3 mt -39.96 -65.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.681 ' HG3' HG21 ' A' ' 85' ' ' VAL . 3.0 mm-40 -87.51 -174.81 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -125.27 -163.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.49 -12.42 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.12 -50.69 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.681 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -80.93 -41.27 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -64.44 -19.34 65.48 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -62.38 -52.94 61.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 2.4 ptmt -56.09 -34.25 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.585 ' HB2' HG11 ' A' ' 51' ' ' VAL . 18.5 t-20 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.458 HD13 HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -130.67 142.4 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.26 127.19 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.029 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.569 HD13 ' CB ' ' A' ' 21' ' ' PHE . 11.5 mm -86.28 132.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.14 -64.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.395 1.06 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -133.12 162.04 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -134.05 96.63 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 159.09 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -129.48 140.93 51.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -128.39 91.14 44.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -36.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -39.92 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.52 -12.58 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.05 34.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.61 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 18.9 mtm105 -117.94 171.65 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.16 142.26 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -131.94 98.13 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.228 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 7' ' ' SER . 3.9 mt -124.16 142.9 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -112.6 142.19 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 9.7 p90 -158.45 -179.62 8.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -137.98 156.14 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.909 HG13 ' HB3' ' A' ' 64' ' ' ALA . 6.7 p -127.49 129.94 70.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -117.26 126.07 52.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.85 146.7 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.871 ' HB3' HD13 ' A' ' 62' ' ' LEU . 1.3 p-10 -127.4 93.27 3.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.12 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.53 155.66 39.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -76.22 120.9 83.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m -116.06 172.72 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -63.87 -54.77 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' CD ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -50.91 -41.5 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -28.84 66.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG12 HD12 ' A' ' 39' ' ' LEU . 5.3 t -79.23 -41.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.853 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -64.2 -23.84 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.11 -64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.88 -37.17 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.662 HD12 HG12 ' A' ' 35' ' ' VAL . 13.5 mt -57.95 -32.12 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 36' ' ' LYS . 5.3 t -68.09 -41.57 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.18 -25.76 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 38' ' ' LYS . 55.7 t -81.87 -50.56 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 70' ' ' ILE . 89.0 mt -73.64 -37.59 65.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.8 t-20 70.49 64.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.54 -174.37 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.25 138.66 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.846 ' HB3' HG21 ' A' ' 40' ' ' VAL . 1.9 ptmt -93.81 -13.02 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -38.22 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -117.63 47.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.621 HD12 HG12 ' A' ' 70' ' ' ILE . 6.1 tt -136.64 135.87 38.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.6 164.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.67 144.39 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -57.22 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -171.58 160.99 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -138.04 169.1 18.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.2 120.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.03 145.76 55.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 30.3 mm -92.25 132.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -79.63 -30.76 41.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.72 -51.55 48.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -142.1 -154.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.2 mt -92.3 39.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 1.2 tt0 -98.04 167.35 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.909 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -155.11 120.24 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.4 tt0 -101.71 141.17 34.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -159.33 165.1 34.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -113.11 138.16 50.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.97 146.86 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.49 147.96 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.761 HD11 HD13 ' A' ' 43' ' ' LEU . 35.5 mt -136.68 139.07 45.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.61 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -114.25 179.85 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -106.03 -38.96 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.65 146.79 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 49.0 mt-10 -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -61.54 -42.7 99.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -79.38 -50.99 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 10.7 ttp -55.18 -48.39 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.808 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -46.98 -50.97 18.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 80' ' ' ILE . 13.2 m -75.01 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' THR . 7.3 mt -40.25 -66.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.74 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.6 mm-40 -89.51 -172.46 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.269 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.431 ' O ' HD22 ' A' ' 86' ' ' LEU . 42.7 p -122.36 -164.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.91 -26.31 64.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.37 -46.39 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.74 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -79.12 -46.17 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -61.13 -19.48 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -63.01 -53.39 54.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 1.6 ptmt -62.01 -33.82 75.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 18.3 t30 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' THR . 11.3 mt -134.73 142.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 125.59 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 109.966 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.444 HD11 HG11 ' A' ' 42' ' ' VAL . 28.4 mm -76.36 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.469 HG21 ' HE3' ' A' ' 20' ' ' LYS . 14.3 mm -100.52 -56.28 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.1 m -146.6 156.33 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.072 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -134.26 90.56 2.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 158.63 15.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.3 130.83 45.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' ARG . 46.5 m-80 -122.9 91.49 49.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.71 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.767 HD13 HH21 ' A' ' 16' ' ' ARG . 9.1 mt -65.77 -15.57 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.57 40.76 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.767 HH21 HD13 ' A' ' 14' ' ' LEU . 24.9 mtm105 -128.31 170.78 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 139.34 54.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.01 100.42 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.627 1.205 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 7' ' ' SER . 5.8 mt -124.98 127.71 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 148.39 26.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.988 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 33.9 p90 -161.21 -179.8 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -135.5 147.89 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.709 ' CG1' HD21 ' A' ' 55' ' ' LEU . 7.4 p -129.99 131.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.093 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 1.4 t -119.98 155.51 32.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 32.1 p90 -169.34 166.64 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.8 m-20 -97.45 83.62 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 71.8 -59.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.77 108.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.4 109.8 60.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.373 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.675 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.2 m -122.75 -174.84 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -68.42 -57.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.81 -35.37 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.5 OUTLIER -74.77 -27.93 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 31' ' ' SER . 3.2 t -81.29 -55.21 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -51.29 -25.91 6.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.435 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -51.53 -50.93 59.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -49.47 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.988 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 83.9 mt -51.43 -35.57 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.3 t -55.18 -43.02 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.75 -40.07 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 HD11 ' A' ' 5' ' ' ILE . 91.6 t -61.23 -52.69 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -41.23 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.3 t-20 67.56 60.18 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.59 -170.19 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 42.1 t-20 -72.99 91.56 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.72 -23.22 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CD ' ' OD1' ' A' ' 46' ' ' ASN . 34.2 mt-30 -58.24 -71.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 m -88.24 55.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 70' ' ' ILE . 6.6 tt -136.4 136.86 39.93 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.6 t -153.46 174.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.1 t -111.03 154.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -57.07 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -171.52 168.26 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.709 HD21 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -147.02 167.75 23.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.3 122.85 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.484 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 37.3 tt0 -80.72 117.87 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.8 mt -63.94 146.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -92.36 -34.29 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.92 -60.06 2.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -114.8 -111.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 61' ' ' LYS . 18.4 mt -149.7 21.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.519 ' OE1' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -92.38 176.47 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -151.91 150.59 30.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -124.93 142.5 51.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.3 157.81 30.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 1.6 t80 -107.99 143.67 36.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -111.43 140.02 46.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 144.41 50.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.629 ' CD1' HD12 ' A' ' 50' ' ' LEU . 24.9 mt -138.83 134.58 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.6 p90 -114.27 151.06 33.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.54 -35.19 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -151.19 141.49 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.06 -31.19 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.34 -43.87 71.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.93 9.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.194 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 ttp -53.59 -50.45 65.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.952 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.42 -32.24 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 80' ' ' ILE . 5.2 m -88.57 -50.03 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 79' ' ' THR . 68.7 mt -40.07 -67.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.694 ' HG3' HG21 ' A' ' 85' ' ' VAL . 1.4 mm-40 -98.91 -176.23 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 110.228 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -103.98 -167.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -68.23 -12.22 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.246 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -62.68 -50.73 70.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.093 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.694 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -75.97 -40.42 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.952 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -67.59 -22.77 65.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.0 -45.7 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -53.1 -69.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.423 ' HA ' HG11 ' A' ' 51' ' ' VAL . 46.7 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 23' ' ' VAL . 2.6 mt -112.55 140.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.08 126.74 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.2 mm -80.21 129.53 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.4 mm -92.65 -58.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -137.37 156.18 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -133.9 91.05 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.46 155.89 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -131.72 134.03 45.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -125.74 91.38 48.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -40.34 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.05 -13.83 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.4 35.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.186 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.732 ' NH2' ' H ' ' A' ' 72' ' ' ASN . 0.7 OUTLIER -117.54 172.84 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.09 127.23 26.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -120.45 107.45 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 7' ' ' SER . 5.7 mt -125.12 127.72 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.36 143.41 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.663 ' HE1' ' HB2' ' A' ' 68' ' ' ALA . 29.7 p90 -160.5 -179.53 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -132.2 148.2 52.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 64' ' ' ALA . 9.7 p -121.92 129.87 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 135.88 54.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -167.36 146.1 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.45 ' HA ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -122.46 92.51 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.08 -78.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.94 159.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.1 116.49 59.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -113.84 174.42 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.068 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.22 -57.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.97 -29.13 64.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -75.13 -34.28 61.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.77 HG12 ' CD1' ' A' ' 39' ' ' LEU . 16.4 t -79.71 -47.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.47 -28.27 5.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.04 -56.16 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -45.71 60.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.77 ' CD1' HG12 ' A' ' 35' ' ' VAL . 64.8 mt -49.61 -39.16 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.2 t -55.11 -42.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -40.29 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.81 -52.53 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 50' ' ' LEU . 47.8 mt -73.44 -41.12 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.2 t-20 70.78 54.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.3 -172.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.35 122.45 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.38 -37.83 39.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.628 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.8 mt-30 -86.89 -179.18 6.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 48' ' ' GLN . 16.7 m 47.96 31.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD12 HG12 ' A' ' 70' ' ' ILE . 2.7 tt -135.45 133.45 38.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 50' ' ' LEU . 1.3 t -154.39 174.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.492 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.9 t -104.57 150.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -80.49 -55.97 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.69 164.89 12.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -144.59 168.05 21.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.25 117.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -65.08 143.36 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.409 HG13 ' HB3' ' A' ' 63' ' ' GLU . 5.9 mm -91.45 133.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -78.76 -44.56 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.1 -57.44 2.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.3 ptpt -137.31 -156.32 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 26' ' ' ASP . 1.8 mt -91.98 45.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HB3' HG13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -104.47 163.69 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -151.27 130.4 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.03 140.38 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.69 38.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -116.56 144.48 44.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.067 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.663 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -103.73 158.77 16.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.617 ' CE ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -145.11 148.34 33.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.638 HG12 HD12 ' A' ' 50' ' ' LEU . 73.3 mt -144.08 128.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' LYS . 1.2 m-85 -107.15 156.01 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.732 ' H ' ' NH2' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -75.44 -73.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -128.11 127.91 43.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 -24.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 73' ' ' ASP . 1.6 mtmt -56.14 -49.59 73.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.66 -53.08 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.1 ttp -51.77 -44.82 63.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.28 -30.08 11.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 m -99.3 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 81' ' ' GLU . 14.7 mt -44.75 -74.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.86 ' HG2' HG11 ' A' ' 85' ' ' VAL . 2.6 mp0 -56.1 175.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.7 p -129.72 177.82 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -25.44 60.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -41.81 98.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.86 HG11 ' HG2' ' A' ' 81' ' ' GLU . 2.9 t -77.92 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.57 -24.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -56.84 -47.32 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.3 ptmt -62.63 -34.57 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.407 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.454 0.169 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.48 101.19 9.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.441 HG13 HG23 ' A' ' 23' ' ' VAL . 4.9 mt -108.18 146.83 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.73 127.59 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mm -80.58 132.0 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.0 mm -95.13 -58.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -140.83 162.83 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 146.34 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -120.39 125.97 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.2 m-80 -116.59 91.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.13 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.45 -63.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 2.1 mt -92.21 25.32 2.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.37 38.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 22.0 mtm-85 -114.2 169.68 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -128.42 124.31 35.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.253 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 16.4 mt-10 -106.39 100.33 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.393 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.19 115.1 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 144.16 28.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.564 1.165 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.659 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 37.1 p90 -160.07 179.97 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.35 150.14 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 HG13 ' A' ' 3' ' ' ILE . 7.3 p -134.46 130.01 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -131.53 145.29 51.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 15.8 p90 -154.38 158.5 40.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.3 m-20 -88.05 78.98 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 75.8 -57.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.25 112.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.415 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.89 106.36 55.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.817 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.5 m -119.41 -169.09 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -71.73 -57.15 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.654 ' NZ ' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -61.44 -41.71 97.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.11 -50.9 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 31' ' ' SER . 72.2 t -63.33 -31.29 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -61.38 -34.95 76.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -61.8 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.077 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -47.51 73.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.806 HD12 HG12 ' A' ' 35' ' ' VAL . 19.9 mt -51.51 -35.1 38.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.697 HG21 ' CB ' ' A' ' 47' ' ' LYS . 3.4 t -64.9 -42.21 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.33 61.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -77.14 -51.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.74 -36.06 65.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.8 t-20 65.71 61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.06 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.29 -177.39 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -64.59 116.33 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.697 ' CB ' HG21 ' A' ' 40' ' ' VAL . 10.8 ptmt -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 49' ' ' VAL . 32.8 m -96.55 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 70' ' ' ILE . 4.8 tt -134.31 134.84 42.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.805 HG11 ' OD1' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -153.32 175.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.2 t -108.8 156.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.34 -56.97 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.16 167.59 12.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -151.62 171.32 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 128.85 10.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.79 147.13 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.9 mm -94.2 140.61 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -88.0 -40.23 14.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.27 2.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.2 ptpt -120.55 -154.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.4 mt -103.47 53.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -119.44 158.48 26.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.225 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -146.58 126.4 13.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.93 141.95 35.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.41 172.62 36.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -125.05 138.21 54.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.659 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -103.46 161.71 13.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 149.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.605 HD11 HD12 ' A' ' 50' ' ' LEU . 77.6 mt -144.74 141.99 23.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.775 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 2.0 t80 -118.19 -175.05 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -105.78 -55.78 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.48 131.63 40.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.15 -19.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -50.3 73.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.775 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -71.82 -52.8 15.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.453 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 4.5 ttp -51.48 -46.06 62.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.644 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -53.85 -28.79 37.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -92.88 -61.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 ' OH ' ' A' ' 71' ' ' TYR . 13.6 mt -50.45 -79.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.915 ' HG2' HG11 ' A' ' 85' ' ' VAL . 3.1 mp0 -45.8 171.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -118.37 168.28 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.77 -21.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -47.84 72.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.915 HG11 ' HG2' ' A' ' 81' ' ' GLU . 57.2 t -70.62 -42.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -72.14 -21.1 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.67 -51.6 68.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.231 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HZ3' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -48.94 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.805 ' OD1' HG11 ' A' ' 51' ' ' VAL . 1.1 m-20 -41.09 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -62.73 163.12 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.6 mm -57.67 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.81 167.89 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -110.51 -179.98 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.671 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 11.6 pt-20 -88.14 -158.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 164.53 86.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -40.49 -65.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -166.68 162.87 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.59 -49.31 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.2 m -77.64 137.77 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.29 168.9 16.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 57.62 164.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.54 0.209 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.03 110.7 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 22' ' ' THR . 6.5 mt -111.29 143.72 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.03 126.73 43.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 HD11 ' CG1' ' A' ' 42' ' ' VAL . 16.0 mm -79.43 132.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -91.73 -58.61 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -142.22 163.39 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -134.07 94.93 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 157.41 17.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -130.94 134.61 46.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 9.8 m-80 -122.4 91.41 49.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.16 2.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mp -44.92 -62.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . 11.7 mt -92.41 24.33 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' HG2' ' ND2' ' A' ' 72' ' ' ASN . 0.7 OUTLIER 38.08 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . 7.3 mtm-85 -109.59 177.54 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 128.68 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.268 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -116.64 103.21 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.75 127.94 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 146.12 30.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.778 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 30.0 p90 -160.55 -179.97 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -133.6 160.84 36.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.403 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.911 HG13 ' HB3' ' A' ' 64' ' ' ALA . 3.3 p -133.12 129.33 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -110.97 141.42 44.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -177.05 152.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -131.79 93.13 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 163.04 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -164.12 141.58 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -78.16 143.56 65.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HG2' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.0 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.738 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m -100.7 -174.7 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.09 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.606 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -72.13 -56.43 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.92 -43.99 97.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -32.75 69.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.958 HG12 HD12 ' A' ' 39' ' ' LEU . 16.5 t -78.4 -45.67 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.34 -29.62 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -57.24 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -74.77 -48.58 24.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.958 HD12 HG12 ' A' ' 35' ' ' VAL . 19.7 mt -50.99 -33.69 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.5 t -63.05 -44.8 99.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.21 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.585 ' CG1' HD11 ' A' ' 5' ' ' ILE . 91.4 t -72.71 -52.58 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD12 HD11 ' A' ' 50' ' ' LEU . 46.3 mt -73.9 -27.49 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 52.65 58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 -172.75 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.41 ' HB3' HG22 ' A' ' 49' ' ' VAL . 12.5 t-20 -66.19 102.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.77 -24.62 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.09 -47.58 85.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 19.0 m -110.04 57.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' C ' ' CG2' ' A' ' 51' ' ' VAL . 4.4 tt -135.89 135.49 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG11 ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -153.59 172.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.9 t -107.1 151.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -88.7 -57.03 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.51 160.81 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -135.59 171.41 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.14 131.62 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -76.54 140.36 41.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 17.3 mm -87.42 132.21 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -77.92 -47.0 19.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.71 -51.05 1.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.8 ptpt -139.01 -152.56 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.6 mt -98.66 40.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -96.19 172.77 7.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.911 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -158.51 121.22 3.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.8 143.68 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.226 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.55 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -156.19 161.88 31.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.468 ' CD2' ' C ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -116.25 131.9 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -104.13 129.0 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -116.38 142.84 46.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -135.84 135.8 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 4.4 p90 -113.45 166.99 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -73.29 -55.21 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.42 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.61 150.67 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.222 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.5 mt-10 -57.7 -20.7 35.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -60.42 -50.3 74.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.93 -52.91 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.7 ttp -50.42 -51.32 47.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.636 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.64 -28.95 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 m -96.7 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 81' ' ' GLU . 13.9 mt -44.15 -73.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 1.002 ' HG2' HG11 ' A' ' 85' ' ' VAL . 1.5 mp0 -47.31 172.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' VAL . 19.7 p -123.17 163.37 20.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -48.38 -26.74 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -65.14 -38.49 90.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 1.002 HG11 ' HG2' ' A' ' 81' ' ' GLU . 14.0 t -75.21 -65.6 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -48.26 -24.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -46.54 80.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.8 ptmt -62.78 -34.72 77.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.642 ' OD1' HG11 ' A' ' 51' ' ' VAL . 16.4 m-80 -79.09 59.66 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.8 152.89 38.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.73 -78.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.89 166.78 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -105.07 -179.39 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 25.4 pt-20 -88.97 -165.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 176.33 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.18 -64.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -171.73 164.36 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.59 -51.27 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.74 168.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.6 -61.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.45 168.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.289 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.472 0.177 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.05 93.08 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' A' ' 21' ' ' PHE . 10.3 mt -120.42 144.56 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.96 127.33 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 21' ' ' PHE . 31.0 mm -80.18 130.23 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.7 mm -89.74 -58.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -145.44 164.56 31.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.25 99.36 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 154.66 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -132.94 131.97 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ARG . 44.0 m-80 -127.8 91.45 45.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -43.51 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.16 -14.48 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.5 40.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -129.0 160.72 31.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -130.79 126.52 36.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 15.6 mt-10 -117.45 117.86 30.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.42 123.0 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.66 136.99 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 39' ' ' LEU . 8.7 p90 -159.69 -179.67 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -131.71 156.05 46.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.783 ' CG1' HD11 ' A' ' 55' ' ' LEU . 1.9 p -138.31 130.53 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.98 156.73 42.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.961 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.56 -172.86 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.12 84.9 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.32 154.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.96 99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -84.5 147.13 48.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m -110.34 179.97 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -69.42 -55.67 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -62.17 -30.63 71.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 0.0 109.307 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.1 OUTLIER -77.35 -28.33 52.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 31' ' ' SER . 10.9 t -81.33 -55.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.655 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -51.29 -25.34 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -52.05 -49.97 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.7 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.904 HD21 ' CE2' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -53.8 -34.04 57.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.5 t -55.17 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 -43.11 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.53 -51.33 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.611 1.194 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -75.18 -31.95 61.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.2 t-20 56.57 50.66 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.71 -170.67 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.86 98.56 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.53 -23.6 58.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.84 -59.73 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.1 m -99.25 53.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.677 HD12 ' CD1' ' A' ' 70' ' ' ILE . 1.8 tt -135.8 135.25 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 89' ' ' ASN . 1.4 t -153.48 175.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.523 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -106.36 150.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -55.77 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.86 160.87 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD11 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -134.69 170.95 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -161.95 122.07 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.85 145.75 55.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 23.1 mm -93.55 133.15 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' GLY . 56.2 t80 -76.04 -49.31 17.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -37.16 -61.0 1.02 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.2 ptpt -127.8 -153.03 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 0.713 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -99.93 44.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -98.86 172.21 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.641 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -155.48 118.07 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.2 tt0 -101.82 143.03 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.58 160.25 32.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.527 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -105.25 134.28 48.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.38 128.46 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.185 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' NZ ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -128.19 145.34 51.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.677 ' CD1' HD12 ' A' ' 50' ' ' LEU . 12.5 mt -136.76 143.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -101.27 178.45 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.99 -41.24 7.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.54 133.91 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.2 mt-10 -53.21 -19.76 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 1.061 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 2.4 mmpt? -56.54 -50.63 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -75.91 -53.05 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.652 ' CG ' HD21 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -50.08 -44.46 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -54.18 -27.77 36.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.8 m -99.96 -65.68 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 81' ' ' GLU . 16.2 mt -51.86 -81.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.743 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -37.75 148.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 p -99.19 162.68 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -53.65 -20.53 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -50.53 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.743 HG11 ' HG2' ' A' ' 81' ' ' GLU . 50.0 t -61.73 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.652 HD21 ' CG ' ' A' ' 77' ' ' MET . 23.7 mt -74.41 -31.24 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -49.18 -43.33 42.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.52 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.564 ' HB2' HG11 ' A' ' 51' ' ' VAL . 1.2 t-20 -84.05 50.99 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.55 163.89 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.02 -81.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 177.16 6.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.25 175.49 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.5 pt-20 -88.5 -160.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.092 . . . . 0.0 110.226 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 167.28 67.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 97' ' ' ALA . 45.2 mt-10 -60.36 -66.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' GLU . . . 61.95 124.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -169.95 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.68 167.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.26 137.58 32.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 73.43 168.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.517 0.199 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.13 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 22' ' ' THR . 9.9 mt -132.29 146.7 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 127.09 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.546 HD13 ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm -81.89 134.11 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mm -94.05 -61.83 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -135.7 158.53 44.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.27 98.8 4.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 158.76 17.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -130.43 135.52 48.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ARG . 37.0 m-80 -129.99 91.51 39.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.53 2.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.22 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.92 -9.16 54.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.06 47.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.586 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -125.99 169.49 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -123.96 142.43 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.79 91.33 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.3 mt -122.52 117.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -92.16 137.81 32.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.869 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 18.9 p90 -154.16 -179.77 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -138.52 160.02 40.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.931 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.8 p -132.25 131.04 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.76 129.46 56.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -169.71 147.98 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.721 ' HA ' HD22 ' A' ' 62' ' ' LEU . 3.1 p30 -125.91 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.93 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.75 143.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 5.5 t -73.78 130.22 83.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.99 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.0 m -159.46 -178.28 7.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.44 -53.4 21.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.12 -39.38 89.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -64.8 -34.68 78.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.8 HG12 HD12 ' A' ' 39' ' ' LEU . 24.0 t -79.75 -45.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -52.56 -28.93 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -51.58 -54.47 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -71.85 -51.07 24.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.869 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 17.8 mt -51.46 -33.36 30.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.7 t -59.76 -42.92 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.85 64.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 38' ' ' LYS . 39.8 t -67.35 -51.01 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.97 -33.11 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.6 t-20 56.31 64.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.69 -170.65 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.07 100.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -62.67 -23.94 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.79 -53.73 54.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.4 m -105.65 58.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 70' ' ' ILE . 2.1 tt -136.31 135.64 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.53 173.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.44 148.27 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -56.93 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -170.82 161.64 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -136.5 168.85 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.74 125.91 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.1 145.44 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 27.8 mm -96.35 132.05 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -79.26 -46.55 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.98 -49.18 2.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 6.4 ptpt -143.66 -153.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 26' ' ' ASP . 2.0 mt -98.6 50.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.8 OUTLIER -107.36 168.16 9.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.931 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -156.51 119.79 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.91 144.02 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.0 147.02 12.14 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -94.66 140.65 29.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.606 0.827 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 141.85 36.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -133.17 141.46 48.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 50' ' ' LEU . 36.3 mt -140.14 138.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.636 ' OH ' HD12 ' A' ' 80' ' ' ILE . 2.6 t80 -113.73 -175.59 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -106.82 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 124.4 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 37.4 mt-10 -64.45 -19.52 65.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.14 -46.98 84.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -52.97 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -53.09 -45.68 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 111.053 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.636 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -50.09 -30.11 10.32 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.9 m -92.49 -61.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.407 1.067 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.636 HD12 ' OH ' ' A' ' 71' ' ' TYR . 6.0 mt -39.35 -67.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.701 ' HG3' HG21 ' A' ' 85' ' ' VAL . 3.1 mm-40 -81.96 -173.39 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 p -129.81 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.31 -21.01 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -55.8 -50.81 69.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.701 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -82.84 -46.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -57.45 -21.15 35.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -58.55 -52.6 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mppt? -49.02 -57.86 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -81.81 52.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 164.7 0.77 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.7 mm -92.88 -63.39 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.62 173.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -93.34 -174.06 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 14.8 pt-20 -86.01 -162.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 178.55 94.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 95' ' ' ALA . 23.9 mt-10 -38.63 -64.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.45 123.8 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 99' ' ' VAL . 13.2 tt0 -170.86 -58.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 98' ' ' GLU . 35.0 m 48.24 179.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -173.42 57.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 64.87 162.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 tpp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.473 0.178 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.07 138.38 11.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.589 HD13 ' CD2' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -112.35 148.57 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -135.8 128.63 31.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 136.69 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.39 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -136.16 164.57 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -133.92 92.64 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.97 16.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -143.04 119.96 11.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -119.92 91.81 45.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.577 1.83 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.9 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.33 -12.47 42.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 67.34 58.25 0.55 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -179.17 129.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.4 ttt180 -84.88 132.58 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -115.92 114.77 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' SER . 5.6 mt -121.91 144.14 32.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.79 ' HZ3' ' CD ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -108.05 140.74 40.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.842 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 6.5 p90 -156.4 -179.15 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.444 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -143.82 156.81 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 3' ' ' ILE . 10.5 p -134.35 132.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.08 139.13 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 27' ' ' ALA . 11.8 p90 -177.09 -177.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -104.63 87.82 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.602 ' O ' ' CE1' ' A' ' 25' ' ' PHE . . . 48.28 -102.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . 38.78 74.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 102.81 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.771 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.86 162.07 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.694 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.7 mt -68.46 -55.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -30.36 70.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.32 -33.63 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.208 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 31' ' ' SER . 25.2 t -77.6 -38.89 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -56.53 -29.73 62.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -59.73 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.87 -48.98 56.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.842 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 20.7 mt -51.53 -33.8 33.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.1 t -61.33 -44.16 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.67 62.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 38' ' ' LYS . 93.2 t -70.11 -52.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.8 -27.59 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.2 t-20 50.96 65.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.49 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' HG22 ' A' ' 49' ' ' VAL . 47.8 t-20 -66.53 109.39 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -68.56 -21.56 64.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.94 -53.03 61.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 33.2 m -109.01 63.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 HG23 ' A' ' 40' ' ' VAL . 6.2 tt -136.25 135.33 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -153.81 173.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.694 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.9 t -108.31 150.66 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -57.26 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.77 157.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -134.3 168.83 18.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 133.76 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -74.41 138.83 43.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 28.5 mm -85.2 134.11 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -80.85 -36.73 31.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.77 -45.34 24.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -146.4 -150.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mt -98.86 37.77 1.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -95.1 171.86 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.29 122.08 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.79 ' CD ' ' HZ3' ' A' ' 20' ' ' LYS . 4.3 tt0 -101.73 143.49 31.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.554 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.28 167.01 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -120.38 138.19 53.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.26 131.25 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 144.76 49.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' ARG . 32.4 mt -137.4 134.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.55 ' CZ ' ' HE1' ' A' ' 77' ' ' MET . 3.1 p90 -114.19 148.11 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -81.92 -42.26 19.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -134.06 126.3 29.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -24.04 67.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' HD3' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.15 -45.0 71.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -52.8 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.55 ' HE1' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttp -54.44 -52.47 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.748 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.27 -30.63 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -90.47 -63.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 81' ' ' GLU . 11.5 mt -45.47 -73.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.887 ' HG2' HG11 ' A' ' 85' ' ' VAL . 6.5 mp0 -51.87 179.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -124.1 -158.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -83.2 -24.57 32.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -38.96 81.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.887 HG11 ' HG2' ' A' ' 81' ' ' GLU . 14.8 t -75.22 -65.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -47.71 -24.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -56.46 -52.36 65.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -65.25 -33.55 76.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.7 m-20 -70.08 109.84 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -41.81 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.6 mm -41.73 -60.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.71 149.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -172.87 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 110.266 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.634 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 16.0 pt-20 -93.52 -157.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 168.18 67.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.242 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -46.61 -66.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 61.29 151.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -168.1 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 99' ' ' VAL . 35.9 m -49.72 111.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.12 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -166.66 172.89 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.227 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.539 0.209 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.31 108.14 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.41 143.46 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.49 128.04 42.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 42' ' ' VAL . 30.6 mm -78.49 135.45 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mm -99.11 -57.89 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -144.95 160.54 41.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.12 94.68 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 158.15 16.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -126.3 130.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 18' ' ' GLU . 2.0 m-80 -120.82 91.54 47.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.11 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 mt -64.92 -15.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.64 30.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 19.1 mtm105 -115.04 179.11 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 126.02 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 27.4 mt-10 -104.64 101.74 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -124.89 121.4 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 146.34 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.76 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 37.2 p90 -158.65 -179.97 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.06 161.46 28.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.728 HG13 ' HB3' ' A' ' 64' ' ' ALA . 1.5 p -139.17 122.44 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -112.79 138.46 49.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -173.48 147.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.716 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.07 84.59 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.43 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -173.72 156.1 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.4 127.15 91.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -90.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -160.38 162.23 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 mt -60.2 -53.99 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 1.4 tttt -57.57 -49.57 75.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.33 -34.64 68.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.2 t -78.1 -33.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.83 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -66.37 -27.98 68.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.94 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.1 -36.87 83.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.76 HD21 ' CZ ' ' A' ' 21' ' ' PHE . 38.0 mt -55.34 -37.0 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 36' ' ' LYS . 75.8 t -63.8 -42.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.27 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 5' ' ' ILE . 41.6 t -76.56 -52.63 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.26 -37.65 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.9 t-20 70.16 56.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.27 -170.32 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -61.86 141.33 58.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.566 ' CB ' HG21 ' A' ' 40' ' ' VAL . 12.4 ptmt -102.64 -22.08 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.22 -51.17 48.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.218 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 49' ' ' VAL . 13.0 m -99.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD12 ' CD1' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -136.16 134.53 38.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -153.77 174.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' H ' HG12 ' A' ' 51' ' ' VAL . 2.1 t -106.24 156.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.69 -57.28 2.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -163.58 162.32 24.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 171.96 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -157.4 126.16 5.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -90.18 128.55 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -71.95 134.81 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -84.26 -43.17 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.65 -54.88 4.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.0 -145.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.7 mt -116.0 43.31 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -106.03 172.08 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.728 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.38 136.25 9.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.1 tt0 -122.01 139.82 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.01 35.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 11.9 t80 -119.35 138.78 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.576 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -103.67 158.42 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' NZ ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -139.82 150.21 44.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.658 ' CD1' HD12 ' A' ' 50' ' ' LEU . 72.8 mt -142.7 136.14 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.582 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -109.39 -177.19 3.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -108.29 -42.55 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.97 124.4 8.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.64 -19.87 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 2.6 mmpt? -58.77 -43.59 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.35 -51.78 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.569 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 6.5 ttp -54.74 -49.56 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.619 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.32 -50.74 21.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -73.65 -61.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.46 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 81' ' ' GLU . 7.5 mt -40.16 -67.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.66 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.6 mm-40 -84.88 -174.44 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 p -130.55 -169.76 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -61.64 -19.72 62.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -50.93 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.66 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -78.92 -42.71 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -64.51 -19.66 65.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -62.72 -53.14 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -62.52 -33.41 74.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' HA ' HG11 ' A' ' 51' ' ' VAL . 15.8 m-20 -82.22 102.23 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -66.38 160.11 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mm -121.59 -84.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -177.92 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -126.83 177.18 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 13.2 pt-20 -84.35 -162.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 171.17 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -41.43 -62.93 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -168.35 158.89 10.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -168.03 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.86 134.2 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -172.73 169.85 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -138.3 163.34 32.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' CB ' ' HE3' ' A' ' 38' ' ' LYS . 22.3 tpp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.522 0.201 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.61 111.15 22.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.52 HG13 HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -121.43 146.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.58 128.83 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.9 mm -76.67 141.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.4 mm -105.6 -57.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -139.96 162.8 34.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 9.3 p-10 -134.04 87.37 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.98 154.73 17.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.31 132.49 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ARG . 5.4 m-80 -122.27 91.43 49.14 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.43 -69.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.633 HD22 HH21 ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.14 -18.63 62.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 80.81 33.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.633 HH21 HD22 ' A' ' 14' ' ' LEU . 31.2 mtm180 -126.22 166.05 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.12 126.19 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.45 106.69 16.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.18 132.99 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.368 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.636 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.75 142.26 44.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.188 . . . . 0.0 109.369 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 1.205 ' CE1' HD21 ' A' ' 39' ' ' LEU . 3.0 p90 -156.6 -179.62 8.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.26 159.08 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.577 ' CG1' HD11 ' A' ' 55' ' ' LEU . 7.5 p -146.34 132.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -133.65 150.49 51.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -160.72 166.22 29.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -118.27 103.34 9.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . 63.36 155.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' ALA . . . 72.81 100.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -96.8 115.65 65.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.69 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.8 m -127.72 177.76 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.441 HG23 ' HB ' ' A' ' 52' ' ' VAL . 2.0 mt -65.46 -52.82 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -27.64 61.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.842 HG12 HD12 ' A' ' 39' ' ' LEU . 3.5 t -78.94 -38.87 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.395 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -58.03 -27.32 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -56.2 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.741 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.39 -50.73 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.205 HD21 ' CE1' ' A' ' 21' ' ' PHE . 16.5 mt -51.35 -34.79 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.6 t -59.58 -43.16 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.25 64.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 38' ' ' LYS . 21.2 t -67.47 -52.52 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -74.15 -33.0 63.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.2 t-20 57.13 63.24 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.38 -175.3 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.39 103.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HB2' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.95 -25.45 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -58.88 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 49' ' ' VAL . 23.0 m -91.82 52.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.7 OUTLIER -133.42 135.53 44.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -153.41 175.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.45 ' H ' HG12 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -105.53 146.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -170.81 161.52 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.585 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -138.26 172.43 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.23 123.87 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.9 145.08 48.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 21.3 mm -93.24 131.67 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -76.16 -48.59 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.3 -59.73 1.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.8 ptpt -128.49 -154.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.5 mt -98.43 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -96.84 170.41 9.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.585 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -158.23 116.58 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.3 tt0 -101.99 142.3 33.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.79 172.32 35.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.636 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.2 t80 -118.22 129.72 55.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . . . -103.94 128.55 51.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.618 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -117.03 150.37 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.1 mt -123.79 136.36 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.618 ' CE2' ' NZ ' ' A' ' 69' ' ' LYS . 45.8 m-85 -95.99 174.09 7.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.72 -44.09 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.52 125.71 7.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.23 -19.66 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -49.91 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -72.55 -53.1 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 1.2 ttp -49.99 -45.11 51.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.32 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -99.85 -65.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 76' ' ' ALA . 16.3 mt -40.42 -71.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HG3' HG21 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -57.95 175.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -129.01 168.12 16.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -51.41 -23.55 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -48.01 80.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.92 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 81' ' ' GLU . 95.7 t -71.09 -46.2 68.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.49 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -66.37 -21.54 66.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -63.57 -53.71 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -67.74 -32.8 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 33.4 t30 -70.15 104.34 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.222 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.57 163.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -41.1 -72.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 14.4 tp10 65.35 -90.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 1.7 pt-20 -88.15 -174.18 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 16.4 pt-20 -90.4 -159.84 0.65 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.158 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 165.23 96.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -39.06 -62.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.239 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.18 131.35 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -55.29 -56.21 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 98' ' ' GLU . 34.9 m 48.2 -179.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -172.72 179.59 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -128.35 163.02 25.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.479 0.18 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.71 141.46 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.606 HD13 ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -119.29 148.85 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.63 130.65 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.868 HD11 ' CG1' ' A' ' 42' ' ' VAL . 21.6 mm -79.7 134.88 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.19 -61.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -135.15 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.42 97.7 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 150.73 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -134.05 125.09 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.76 91.58 26.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.48 3.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.5 -59.95 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 mt -92.39 25.03 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 38.06 49.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.542 HH21 ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -130.97 172.92 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' LYS . 1.9 ttt180 -138.58 124.8 20.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.17 114.48 24.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.42 1.075 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.38 122.09 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 1.5 tppt? -91.32 134.94 34.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 15.0 p90 -146.72 -179.64 6.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 111.035 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -139.84 166.05 25.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.075 HG13 ' HB3' ' A' ' 64' ' ' ALA . 10.6 p -143.05 133.93 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.0 132.28 56.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' C ' ' A' ' 27' ' ' ALA . 1.8 p90 -177.15 155.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -106.39 82.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 176.17 -155.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.14 138.82 50.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.6 m -56.66 143.63 67.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.919 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.0 m -147.22 178.15 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.723 HG23 HG12 ' A' ' 52' ' ' VAL . 1.8 mt -67.36 -53.99 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.07 -44.47 91.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -32.4 69.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.971 HG12 HD12 ' A' ' 39' ' ' LEU . 69.1 t -78.75 -39.82 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -60.21 -27.14 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -64.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.8 -35.66 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.971 HD12 HG12 ' A' ' 35' ' ' VAL . 17.5 mt -62.78 -31.06 71.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.2 t -64.35 -40.3 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.868 ' CG1' HD11 ' A' ' 5' ' ' ILE . 42.6 t -72.85 -51.3 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 70' ' ' ILE . 38.4 mt -72.47 -35.3 68.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.97 74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -156.71 -170.5 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -70.3 109.21 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.605 ' CB ' HG21 ' A' ' 40' ' ' VAL . 10.6 ptmt -67.1 -24.3 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.19 -53.95 52.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.53 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 50' ' ' LEU . 3.3 tt -136.13 140.62 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.55 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -155.12 170.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.723 HG12 HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.85 142.55 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -57.25 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -174.14 167.47 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -143.16 169.97 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.91 118.36 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -78.52 123.58 27.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.416 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 1.4 mt -63.85 135.47 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.32 -48.55 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.68 -63.19 0.88 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.567 1.167 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -115.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 0.729 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.9 mt -112.63 45.15 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -102.25 173.92 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.075 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -157.69 134.6 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.14 141.93 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.56 167.03 35.61 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -115.87 131.61 56.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.966 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -106.41 126.09 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.05 147.13 45.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 43' ' ' LEU . 8.9 mt -129.72 133.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 80.9 m-85 -89.1 -178.56 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.48 -46.01 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.4 129.77 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.7 OUTLIER -49.85 -22.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.35 74.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -51.42 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 9.4 ttp -52.23 -46.61 65.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 74' ' ' GLU . . . -47.06 -30.57 2.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 80' ' ' ILE . 3.7 m -100.04 -58.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.542 ' CG2' HH21 ' A' ' 16' ' ' ARG . 5.2 mt -39.76 -66.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.68 ' HG3' HG11 ' A' ' 85' ' ' VAL . 2.7 mm-40 -84.59 -175.06 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.4 p -133.59 -179.16 5.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.445 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -25.88 15.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -50.81 69.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.68 HG11 ' HG3' ' A' ' 81' ' ' GLU . 2.4 t -78.39 -50.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CG ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -53.14 -26.23 16.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -43.62 76.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -52.14 -68.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.55 ' HB2' HG11 ' A' ' 51' ' ' VAL . 8.6 t30 -76.45 112.54 13.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -44.31 164.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' GLU . 2.9 mp -40.58 -88.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER 59.74 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -113.49 177.46 4.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.621 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.9 pt-20 -86.35 -160.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 168.28 66.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.54 -65.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -170.45 166.98 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' A' ' 99' ' ' VAL . 8.9 tt0 -168.19 -60.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.537 ' O ' ' O ' ' A' ' 98' ' ' GLU . 10.7 m 44.86 102.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.74 -61.66 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 61.48 166.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.497 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.21 136.97 48.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.475 HG23 ' HD2' ' A' ' 21' ' ' PHE . 4.0 mt -127.43 147.59 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.18 126.78 38.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' ' 21' ' ' PHE . 28.6 mm -81.26 137.14 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.5 mm -96.64 -61.71 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 19' ' ' ILE . 5.7 p -145.09 168.68 19.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -134.45 108.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 158.2 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -127.18 142.12 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' ARG . 30.1 m-80 -135.66 91.4 18.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.01 -33.85 4.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.9 mp -40.22 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -6.23 53.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 70.01 49.07 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -122.61 168.04 12.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -137.13 115.19 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -110.79 117.22 32.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 7' ' ' SER . 5.7 mt -124.32 125.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HE2' ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -90.45 135.67 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 11.8 p90 -150.26 -179.67 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER -134.66 156.7 48.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.047 HG13 ' HB3' ' A' ' 64' ' ' ALA . 4.1 p -135.26 128.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -115.84 141.88 47.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HE1' ' HB2' ' A' ' 64' ' ' ALA . 12.0 p90 -176.47 146.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.694 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -127.35 94.84 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.14 -81.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.35 156.09 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.81 115.29 50.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -161.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.96 173.88 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.61 -55.12 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -30.63 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -79.77 -30.11 40.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG12 HD12 ' A' ' 39' ' ' LEU . 2.8 t -79.23 -47.39 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.43 -28.05 7.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.12 -57.41 9.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.98 -49.88 59.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.993 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 18.9 mt -51.52 -35.93 42.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.6 t -60.84 -44.67 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.51 62.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 38' ' ' LYS . 97.0 t -69.15 -52.87 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 70' ' ' ILE . 22.0 mt -75.09 -35.1 61.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.2 t-20 66.42 50.53 1.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.44 -174.98 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.84 125.3 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' CB ' HG21 ' A' ' 40' ' ' VAL . 1.7 ptmt -85.89 -14.15 45.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.59 -46.08 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' ILE . 25.0 m -109.89 52.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 70' ' ' ILE . 4.6 tt -136.23 135.02 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.19 164.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.54 144.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.81 -52.28 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.72 146.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.881 HD21 HG11 ' A' ' 23' ' ' VAL . 3.8 tp -114.56 168.95 9.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.37 109.01 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -79.99 120.0 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.3 mt -66.01 128.68 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -76.55 -33.66 58.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.145 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.6 -43.79 53.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.9 ptpt -135.62 -145.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.1 mt -116.9 43.7 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -104.56 167.1 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.047 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -146.9 132.53 18.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -128.62 131.14 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.75 173.2 35.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -109.04 135.03 50.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.508 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -108.24 124.35 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HE3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -121.67 150.18 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.669 ' CD1' HD12 ' A' ' 50' ' ' LEU . 15.8 mt -134.25 132.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 18.1 m-85 -88.04 171.62 10.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -101.75 -33.61 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -160.65 143.95 13.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.23 -34.28 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -53.83 -44.64 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.23 -52.43 12.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.614 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttp -54.34 -47.37 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.24 -43.14 21.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.6 m -82.57 -64.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.063 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.428 ' CG2' ' NH2' ' A' ' 16' ' ' ARG . 6.4 mt -40.04 -60.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.593 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.3 mm-40 -92.13 -179.34 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.485 ' O ' HD22 ' A' ' 86' ' ' LEU . 11.3 p -130.64 -157.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.18 -14.52 63.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -50.86 71.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.609 1.193 . . . . 0.0 109.993 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.593 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.1 t -82.37 -45.52 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -58.14 -22.62 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -57.16 -47.88 80.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.249 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 11.0 mtpt -52.02 -68.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' LYS . 48.8 t-20 -48.78 103.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ASN . 3.3 mtpt -40.2 147.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.3 mm -126.48 -81.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 8.3 tp10 -88.99 -91.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 1.7 pt-20 -94.0 -175.4 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.547 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.8 pt-20 -87.08 -164.34 1.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 173.43 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -39.33 -65.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -172.72 126.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -43.94 -70.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.3 m -126.17 132.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.5 -69.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -170.93 168.72 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.492 0.187 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.88 93.36 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mt -117.48 131.52 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.2 126.24 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.602 HD11 HG11 ' A' ' 42' ' ' VAL . 35.2 mm -77.92 132.4 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mm -95.39 -56.4 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 109.233 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.1 p -138.68 159.73 41.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -134.05 91.51 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.43 149.1 26.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -124.34 137.96 54.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 18' ' ' GLU . 26.3 m-80 -127.35 91.37 46.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.42 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.51 -19.2 65.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 23.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.694 HH21 ' HG3' ' A' ' 69' ' ' LYS . 56.9 mtp180 -117.86 171.52 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.5 tpt180 -116.27 142.54 46.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 5.8 mt-10 -129.87 93.3 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 7' ' ' SER . 4.8 mt -124.75 130.38 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.98 144.59 35.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.672 ' HE2' ' HB2' ' A' ' 68' ' ' ALA . 23.1 p90 -160.96 -179.74 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -127.86 153.58 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.804 ' CG1' HD11 ' A' ' 55' ' ' LEU . 2.2 p -137.8 131.32 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.07 148.61 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -154.01 -172.9 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 4.7 m-20 -122.32 89.17 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 70.63 -60.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.51 109.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -103.29 106.66 52.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HB2' HG23 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.04 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m -132.58 -167.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.27 -57.33 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HG3' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.54 -44.33 87.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.0 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.7 t -78.6 -42.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -49.25 -32.26 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -53.63 36.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.12 -47.21 59.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.521 ' CD1' HG12 ' A' ' 35' ' ' VAL . 62.4 mt -51.01 -41.08 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.667 HG21 ' CB ' ' A' ' 47' ' ' LYS . 7.5 t -55.37 -42.53 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.88 -37.19 62.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 5' ' ' ILE . 76.3 t -63.96 -52.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.717 HD12 HD11 ' A' ' 70' ' ' ILE . 21.4 mt -75.14 -41.21 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' VAL . 11.8 t-20 73.4 51.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.39 -169.4 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -75.19 116.48 15.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.667 ' CB ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.51 -26.25 61.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.76 -38.62 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 4.0 m -122.41 62.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 36' ' ' LYS . 2.8 tt -136.05 134.43 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 1.4 t -153.23 172.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.1 t -110.29 153.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -83.14 -54.22 5.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -176.95 159.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.804 HD11 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -133.69 170.5 15.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.38 124.59 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -70.51 139.86 51.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.435 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 26.2 mm -89.16 132.87 32.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLY . 34.6 t80 -76.24 -49.41 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' PHE . . . -36.67 -54.19 1.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.6 ptpt -134.78 -151.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.9 mt -101.59 40.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 0.5 OUTLIER -95.46 174.01 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.563 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -160.81 119.36 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -101.95 142.68 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.24 173.5 37.68 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 1.5 t80 -120.75 151.96 38.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.672 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -121.06 151.14 40.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.694 ' HG3' HH21 ' A' ' 16' ' ' ARG . 0.0 OUTLIER -141.11 150.4 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.717 HD11 HD12 ' A' ' 43' ' ' LEU . 30.5 mt -139.77 133.43 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.8 p90 -115.19 150.81 35.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -79.64 -36.5 37.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.17 144.22 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.88 -30.81 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' CD ' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -53.9 -41.76 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.18 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.605 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.2 ttp -54.63 -50.71 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.432 ' O ' HD11 ' A' ' 86' ' ' LEU . . . -46.69 -44.14 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 m -76.39 -54.26 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 81' ' ' GLU . 6.6 mt -41.06 -70.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.615 1.197 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.675 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.2 mm-40 -86.58 175.38 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.3 p -105.63 -167.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.86 -27.12 66.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -56.3 -47.61 78.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.675 HG21 ' HG3' ' A' ' 81' ' ' GLU . 3.5 t -79.93 -53.03 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 78' ' ' ALA . 11.3 mt -55.27 -21.01 12.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -59.97 -53.79 53.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.537 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.2 ptmt -52.43 -34.42 48.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 -104.67 35.65 2.69 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -42.54 163.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -47.23 -81.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.18 159.42 3.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -131.51 178.55 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -149.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 63.92 89.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -38.74 -61.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.84 125.24 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 99' ' ' VAL . 16.0 tt0 -167.76 -57.17 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.566 1.166 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 98' ' ' GLU . 35.5 m 48.16 -179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 99' ' ' VAL . . . 179.13 176.61 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.47 170.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.48 0.181 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 94.82 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.0 mt -122.0 145.16 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.49 131.88 25.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mm -81.42 133.99 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -96.98 -58.39 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 19' ' ' ILE . 51.1 m -143.19 164.43 30.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -134.42 97.82 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.3 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -116.64 126.67 53.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.43 91.63 49.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.86 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -50.16 -61.62 2.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.63 -16.31 62.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 59.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.607 ' HD2' ' HZ3' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -177.88 142.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.8 ttt180 -108.56 141.16 40.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.574 1.172 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -126.05 121.7 33.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' SER . 6.6 mt -122.55 123.5 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -88.8 134.94 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 1.093 ' CE1' HD21 ' A' ' 39' ' ' LEU . 5.1 p90 -155.81 -179.43 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -130.45 156.83 44.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.791 HG11 HD11 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -142.23 129.56 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -131.1 156.72 44.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -154.79 -176.51 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.9 m-20 -101.43 80.57 2.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' ASP . . . 59.29 155.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.47 136.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -113.21 141.99 26.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.097 . . . . 0.0 110.4 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -90.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m 179.94 -179.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.16 -57.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -58.46 -35.03 71.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.4 OUTLIER -74.77 -27.58 60.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 31' ' ' SER . 3.0 t -81.43 -55.33 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.208 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.05 -25.49 3.46 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -52.27 -52.7 51.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -51.28 42.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.093 HD21 ' CE1' ' A' ' 21' ' ' PHE . 1.3 mt -51.98 -37.28 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.68 ' CG2' HD22 ' A' ' 50' ' ' LEU . 2.2 t -55.39 -39.33 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.93 58.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.61 -51.51 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.52 -31.7 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' VAL . 15.5 t-20 55.02 55.58 7.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.5 -170.49 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -73.7 98.84 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -22.94 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.56 -64.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 70' ' ' ILE . 26.7 m -97.08 55.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD12 ' CD1' ' A' ' 70' ' ' ILE . 3.4 tt -134.82 134.41 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.938 HG11 ' HB3' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -154.56 176.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t -109.29 150.06 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.06 161.89 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.791 HD11 HG11 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -140.08 169.47 17.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.17 115.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -78.06 122.76 26.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.4 mt -63.61 142.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -87.3 -47.21 9.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.41 -56.38 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.5 ptpt -122.76 -153.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -107.19 44.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -102.15 171.51 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -159.31 135.82 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -124.43 141.52 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.12 161.26 31.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CG ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -106.02 132.87 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 0.824 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.63 124.55 49.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.607 ' HZ3' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -124.25 148.82 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.723 ' CD1' HD12 ' A' ' 50' ' ' LEU . 49.8 mt -138.73 140.02 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -100.02 141.01 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.81 -37.69 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.91 134.67 5.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.3 mp0 -58.37 -19.29 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.12 -44.27 83.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.184 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -80.97 -53.94 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -50.7 -44.35 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -51.8 -31.55 27.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -99.97 -66.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . 29.7 mt -46.67 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.89 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -45.38 153.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 p -109.09 169.51 8.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -52.44 -23.98 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.89 HG11 ' HG2' ' A' ' 81' ' ' GLU . 39.5 t -74.04 -51.65 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -61.84 -23.33 66.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.407 1.067 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.64 -49.75 74.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -49.31 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.938 ' HB3' HG11 ' A' ' 51' ' ' VAL . 8.8 p-10 -79.46 67.75 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.9 OUTLIER -71.09 152.21 43.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.3 mt -40.48 -79.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.81 -175.32 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -117.23 176.15 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.8 pt-20 -98.82 -166.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 171.68 65.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -60.68 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 62.73 124.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -169.15 -71.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.78 166.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.18 109.99 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -40.51 154.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.225 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.577 0.227 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -135.69 128.22 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 39' ' ' LEU . 1.3 mt -115.32 144.97 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.14 125.29 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 21' ' ' PHE . 19.0 mm -82.11 133.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 mm -98.24 -58.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.87 162.95 33.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.19 100.94 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 159.21 17.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -133.91 132.45 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.4 m-80 -124.06 91.51 49.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.531 1.806 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.9 -63.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -92.02 25.5 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.51 33.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 71' ' ' TYR . 16.9 mtm-85 -107.41 168.95 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.9 123.52 37.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -124.18 125.7 71.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -117.56 139.04 51.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.688 ' HB3' HD13 ' A' ' 5' ' ' ILE . 3.1 p90 -159.95 179.89 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -125.31 157.3 37.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.1 p -126.7 123.66 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -105.48 138.18 42.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -170.95 145.72 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.582 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.5 p-10 -128.96 99.57 5.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 170.73 -93.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.92 156.95 45.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -80.24 123.23 83.31 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -118.61 -170.49 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.474 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.4 mt -72.08 -57.2 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -54.56 -51.54 64.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -34.93 59.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 39' ' ' LEU . 2.7 t -78.24 -36.78 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.83 -20.99 61.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -63.1 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.814 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.704 HD12 HG12 ' A' ' 35' ' ' VAL . 22.7 mt -58.84 -40.37 84.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 36' ' ' LYS . 3.8 t -56.38 -43.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.99 63.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 38' ' ' LYS . 92.3 t -64.94 -52.66 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD12 HD11 ' A' ' 50' ' ' LEU . 70.8 mt -74.65 -40.64 61.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' VAL . 8.9 t-20 74.13 45.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.71 -170.73 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.49 ' ND2' HG22 ' A' ' 49' ' ' VAL . 14.6 t-20 -65.29 148.77 51.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.5 ' CB ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -110.42 -31.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -61.4 -13.8 22.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.49 HG22 ' ND2' ' A' ' 46' ' ' ASN . 31.2 m -138.31 47.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.696 HD12 ' CD1' ' A' ' 70' ' ' ILE . 3.7 tt -136.37 134.05 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 89' ' ' ASN . 1.5 t -153.64 173.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -107.75 151.09 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.27 -56.6 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -165.99 166.55 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.355 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -147.41 170.83 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -155.86 120.5 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -69.1 144.57 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.5 mm -90.72 130.82 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.91 -25.76 34.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.52 -49.89 69.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -140.74 -151.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.84 44.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.376 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 169.21 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -155.88 120.67 4.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.2 tt0 -101.72 138.57 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.523 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -159.37 168.52 35.31 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 68' ' ' ALA . 8.9 t80 -117.11 141.98 47.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' TYR . . . -107.19 165.3 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 148.39 32.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.696 ' CD1' HD12 ' A' ' 50' ' ' LEU . 86.9 mt -144.45 143.13 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.778 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 2.1 t80 -121.39 -175.66 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.063 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.98 -55.81 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 130.47 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.39 -19.38 63.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -58.63 -50.37 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.778 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -71.6 -51.85 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.478 ' N ' ' CE1' ' A' ' 71' ' ' TYR . 1.4 ttp -52.34 -47.37 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.562 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -48.77 -29.21 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.8 m -89.91 -65.28 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.661 HD12 ' OH ' ' A' ' 71' ' ' TYR . 20.6 mt -47.27 -75.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.753 ' HG2' HG11 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -43.76 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -120.9 176.88 5.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -60.16 -15.73 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -44.96 36.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.753 HG11 ' HG2' ' A' ' 81' ' ' GLU . 74.1 t -73.41 -54.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -57.47 -25.9 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.77 -49.94 69.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.24 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.715 ' HZ3' ' HA ' ' A' ' 85' ' ' VAL . 1.5 mppt? -49.33 -64.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.586 ' HB2' HG11 ' A' ' 51' ' ' VAL . 64.7 t30 -66.93 107.99 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -47.01 148.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.71 -86.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.74 -171.77 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.42 -178.89 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 13.8 pt-20 -84.17 -160.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 165.69 96.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -44.62 -64.06 0.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -170.35 125.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.07 -55.76 16.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.46 141.54 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.79 131.59 44.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -111.66 169.19 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' A' ' 25' ' ' PHE . 21.7 tpp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.575 0.226 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.75 125.37 7.64 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -107.02 142.85 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.85 126.2 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -78.39 134.76 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.1 mm -98.25 -57.12 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -140.22 168.92 18.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -134.23 101.71 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.94 138.65 43.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.093 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -126.32 125.94 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -124.3 91.75 49.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.38 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mp -47.21 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.66 -14.24 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.92 50.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -160.43 145.92 14.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -105.11 135.66 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -121.9 115.76 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -125.42 136.51 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' CG ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.08 142.3 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.732 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 42.0 p90 -157.1 -179.85 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -130.34 142.09 50.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' HB ' ' CG1' ' A' ' 3' ' ' ILE . 3.4 p -125.07 129.08 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -95.29 139.07 32.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 75.4 m-85 -129.09 166.02 20.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.723 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.5 m-20 -157.89 68.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 160.87 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.87 156.23 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 135.53 47.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -90.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.917 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.2 m -159.98 -176.92 5.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.073 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -71.39 -55.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -60.57 -41.66 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' MET . 1.1 t70 -57.46 -35.28 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 31' ' ' SER . 97.3 t -80.09 -51.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -49.31 -26.79 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 1.2 mtm -51.47 -57.34 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -50.32 42.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.849 ' CD1' HG12 ' A' ' 35' ' ' VAL . 9.4 mt -50.04 -36.23 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.9 t -58.64 -42.67 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.04 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -65.51 -51.73 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.71 -33.1 68.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 71.07 63.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.98 -169.89 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -83.33 -172.1 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 49' ' ' VAL . 14.4 ptmt -112.44 -133.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.4 mt-30 34.72 -95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 6.3 m -40.15 -29.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 51' ' ' VAL . 1.1 tt -83.28 134.73 34.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -154.88 175.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.3 t -104.52 143.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -73.92 -56.94 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.22 160.82 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.486 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -136.45 168.59 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.44 120.58 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.94 140.7 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mm -88.82 134.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.8 -45.95 17.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.4 -48.85 2.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 2.7 ptpt -144.35 -156.37 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD13 ' OD2' ' A' ' 26' ' ' ASP . 1.8 mt -93.74 39.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.28 165.01 12.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -152.55 132.87 13.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.03 139.71 49.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.28 166.68 33.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.61 ' CD2' ' CG ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -119.44 138.69 52.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 0.822 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 21' ' ' PHE . . . -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.98 145.05 49.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' HD12 ' A' ' 50' ' ' LEU . 77.2 mt -134.91 136.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.196 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.722 ' HE1' ' HB3' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -113.64 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -112.57 -53.15 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 122.97 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 12.4 mt-10 -59.1 -19.38 43.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 mmpt? -58.76 -43.56 90.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.722 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -76.06 -52.84 9.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.589 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.3 ttt -54.58 -49.45 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.824 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -51.62 -29.48 17.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 m -91.54 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 mt -46.28 -69.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.875 ' HG2' HG11 ' A' ' 85' ' ' VAL . 2.9 mp0 -57.97 165.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 p -116.57 175.39 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -50.1 -26.8 4.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -44.59 82.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.046 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' A' ' 81' ' ' GLU . 47.7 t -79.92 -56.62 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -52.81 -22.35 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.85 -50.98 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 53' ' ' ASP . 7.9 mtpt -49.55 -67.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.41 110.6 6.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.55 148.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.198 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.62 -90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.57 172.78 14.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.295 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -96.74 -174.82 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -86.9 -165.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -178.44 92.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -39.0 -63.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.25 125.13 44.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -168.46 -72.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.3 m -123.53 168.58 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.46 147.2 29.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -164.18 161.68 22.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 tpp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.453 0.168 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.67 119.25 24.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.674 HD13 HD21 ' A' ' 39' ' ' LEU . 3.4 mt -116.26 140.13 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.417 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.83 125.09 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 21' ' ' PHE . 15.9 mm -85.42 129.4 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -94.49 -60.54 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -137.01 158.66 43.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -132.39 87.76 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.12 157.19 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -127.6 138.04 52.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ARG . 2.2 m-80 -116.72 91.82 36.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -44.16 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -45.56 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.56 -14.07 61.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.25 25.37 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.723 HH22 ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -108.54 178.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.04 129.48 50.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' OE1' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 mt-10 -112.11 102.33 10.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mt -125.15 134.64 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -119.82 135.3 54.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.765 ' HB3' HD13 ' A' ' 5' ' ' ILE . 6.1 p90 -159.74 179.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -124.75 156.43 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 64' ' ' ALA . 6.6 p -132.11 129.5 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.53 140.92 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -141.17 179.85 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 3.6 m-20 -99.72 79.12 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 59.73 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ALA . . . 61.91 128.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.6 t -94.22 147.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.96 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.42 1.747 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.689 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.6 m 177.8 -179.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.488 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.5 mt -71.99 -57.49 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -58.55 -29.53 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.34 -29.84 34.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' SER . 3.4 t -78.69 -38.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.946 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.4 -21.45 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -61.67 -64.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' CE ' ' HA ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -62.65 -31.88 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 3' ' ' ILE . 35.5 mt -59.82 -30.65 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.5 t -54.75 -37.44 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.33 26.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 5' ' ' ILE . 55.4 t -59.03 -51.66 69.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.643 HD12 HD11 ' A' ' 50' ' ' LEU . 15.4 mt -72.27 -38.56 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 67.33 54.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.52 -170.33 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -70.48 135.07 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -19.25 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.695 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.9 mt-30 -98.41 173.39 6.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 48' ' ' GLN . 9.9 m 49.01 25.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.721 HD12 HG12 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -129.63 134.61 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.498 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.6 t -153.53 173.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.498 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.8 t -100.45 151.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -86.69 -55.52 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -168.41 159.49 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.414 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.575 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -139.71 169.19 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.05 129.1 3.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.285 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.49 146.72 50.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LYS . 34.6 mm -98.69 132.05 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -77.88 -42.29 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.68 -50.74 5.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' ILE . 4.8 ptpt -142.99 -153.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt -97.59 49.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 167.07 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.575 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -155.23 120.16 4.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.84 141.24 35.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 54' ' ' THR . . . -159.5 157.71 28.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 20' ' ' LYS . 1.2 t80 -103.56 146.52 28.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -117.35 151.65 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.47 143.84 44.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.721 HG12 HD12 ' A' ' 50' ' ' LEU . 30.7 mt -137.76 132.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.624 ' CE1' ' HA ' ' A' ' 49' ' ' VAL . 1.4 p90 -115.04 170.29 8.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -85.09 -37.04 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.73 151.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.3 -19.4 62.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 3.0 mmpt? -56.09 -42.16 76.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.723 ' HB3' HH22 ' A' ' 16' ' ' ARG . . . -77.11 -52.97 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.527 ' N ' HH21 ' A' ' 16' ' ' ARG . 0.9 OUTLIER -51.69 -46.27 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.73 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -95.36 -56.42 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.41 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.3 mt -40.23 -71.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -93.17 178.83 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 p -121.41 -160.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -62.89 -15.0 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -51.09 70.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' ' CD ' ' A' ' 88' ' ' LYS . 9.0 t -82.57 -41.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -63.26 -18.53 63.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -62.6 -53.56 52.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 3.0 ptmt -53.97 -34.31 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 12.0 t-20 -94.34 167.9 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -39.71 151.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.77 -80.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.3 147.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -113.44 176.61 4.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 11.6 pt-20 -93.88 -155.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.45 80.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.72 -64.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.94 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -168.28 -72.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.27 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 18.5 m -133.43 115.81 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 99' ' ' VAL . . . 176.52 178.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -129.93 170.48 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.424 0.154 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.75 133.52 55.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.786 HD13 HD21 ' A' ' 39' ' ' LEU . 7.5 mt -134.17 141.61 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.99 127.78 39.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 mm -74.28 140.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 mm -104.66 -56.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' ILE . 2.2 m -141.89 160.06 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -134.31 92.54 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 153.81 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -129.82 121.75 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 16' ' ' ARG . 4.4 p30 -123.1 91.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.03 -32.12 5.6 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.8 mp -40.03 -60.73 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 23.1 mt -79.35 -19.69 49.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 83.6 27.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.696 HH21 ' HA ' ' A' ' 77' ' ' MET . 4.6 mmt-85 -122.68 170.01 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.2 122.96 38.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.81 107.8 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 7' ' ' SER . 4.8 mt -125.06 131.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -104.06 145.36 30.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.646 ' CE1' ' HB2' ' A' ' 68' ' ' ALA . 31.1 p90 -155.81 -179.97 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.464 HG23 ' OE2' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -131.85 159.64 37.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.103 HG13 ' HB3' ' A' ' 64' ' ' ALA . 2.5 p -134.89 130.64 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.35 134.33 55.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.2 p90 -171.5 148.64 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.801 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -123.5 89.63 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' ASP . . . 175.19 -80.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -169.93 156.39 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -81.72 138.47 47.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.1 m -170.62 177.96 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.518 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.6 mt -68.62 -57.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -35.81 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.84 57.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.912 HG12 HD12 ' A' ' 39' ' ' LEU . 4.0 t -79.14 -35.73 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -67.22 -24.13 65.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 mmm -57.12 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.877 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.76 -36.75 81.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.912 HD12 HG12 ' A' ' 35' ' ' VAL . 46.7 mt -64.08 -31.24 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 HD22 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -59.8 -45.81 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.67 65.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 38' ' ' LYS . 66.2 t -67.5 -52.58 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.739 HD13 HD11 ' A' ' 70' ' ' ILE . 60.1 mt -73.68 -35.95 65.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.4 t-20 59.11 71.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.49 -173.71 4.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 49' ' ' VAL . 64.5 t-20 -59.5 118.58 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -26.62 44.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.2 -60.06 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 49' ' ' VAL . 13.7 m -96.11 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 HG12 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -134.88 134.99 41.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -154.1 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.518 ' HB ' HG23 ' A' ' 32' ' ' ILE . 1.2 t -111.42 143.56 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -76.13 -57.18 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.15 162.03 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.551 HD21 HG11 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -142.68 168.35 19.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -162.37 122.64 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.37 126.92 34.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.27 128.82 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -80.8 -29.94 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.94 -55.65 24.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.616 1.198 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.5 ptpt -122.96 -145.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.2 mt -113.2 42.09 1.99 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' OE2' HG23 ' A' ' 22' ' ' THR . 0.3 OUTLIER -105.04 173.37 6.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.103 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.4 136.77 9.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ASP . 2.4 tt0 -124.59 140.84 52.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 55' ' ' LEU . . . -161.76 164.62 35.33 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -111.97 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.646 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . . . -105.03 126.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HE2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -118.82 138.91 52.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 43' ' ' LEU . 46.3 mt -118.58 132.1 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 77' ' ' MET . 64.0 m-85 -90.73 -177.41 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 4.2 m-20 -133.77 -46.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -144.08 128.04 17.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.46 -29.01 67.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.55 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -71.33 -52.41 18.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.696 ' HA ' HH21 ' A' ' 16' ' ' ARG . 1.2 ttp -52.14 -46.24 65.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.36 -32.9 5.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -99.4 -65.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ALA . 9.5 mt -41.51 -70.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.937 ' HG2' HG11 ' A' ' 85' ' ' VAL . 1.2 mp0 -56.22 167.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -120.17 171.97 8.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -55.96 -18.74 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -41.34 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.937 HG11 ' HG2' ' A' ' 81' ' ' GLU . 3.6 t -76.29 -61.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -50.86 -22.78 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.8 -53.38 58.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 2.1 ptmt -56.56 -34.17 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.2 t-20 -93.04 31.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.8 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 92' ' ' GLU . 3.3 mt -64.75 -94.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -158.91 162.46 36.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -133.83 177.41 7.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 16.6 pt-20 -85.01 -155.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.76 90.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 23.0 mt-10 -38.79 -62.06 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.36 124.91 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -169.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.5 m -48.21 149.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.98 76.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -157.07 167.23 31.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.518 0.199 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.97 103.9 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.551 HD13 ' CD2' ' A' ' 39' ' ' LEU . 5.4 mt -110.89 147.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.56 127.15 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 21' ' ' PHE . 26.3 mm -81.63 133.44 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mm -96.64 -56.9 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -145.75 166.28 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -134.25 98.83 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.84 155.55 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -131.88 131.12 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.39 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' HG3' ' A' ' 18' ' ' GLU . 46.4 m-80 -122.35 91.35 49.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.65 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -41.62 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.84 -13.96 60.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER 69.91 53.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.472 HH22 HD12 ' A' ' 80' ' ' ILE . 3.4 mtt85 -140.16 167.18 22.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.03 127.96 55.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG3' ' ND2' ' A' ' 11' ' ' ASN . 63.6 mt-10 -116.12 101.21 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.77 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -120.24 139.19 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.768 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 2.1 p90 -158.17 -179.89 8.53 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.6 1.187 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.02 155.82 29.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 64' ' ' ALA . 4.9 p -133.12 128.25 55.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.32 144.63 51.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CZ ' ' OG1' ' A' ' 29' ' ' THR . 8.7 p90 -149.41 -173.82 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.4 m-20 -109.03 80.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 70.61 -60.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -38.77 112.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.517 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -112.72 101.1 52.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.0 m -115.33 -171.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -71.98 -57.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.3 -35.79 74.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -36.73 77.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 31' ' ' SER . 39.5 t -77.91 -32.81 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -53.4 -33.31 53.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.27 33.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.01 -44.48 69.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.267 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.768 HD22 ' CZ ' ' A' ' 21' ' ' PHE . 95.2 mt -55.3 -37.41 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 36' ' ' LYS . 3.1 t -56.32 -41.83 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.25 -39.46 63.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 38' ' ' LYS . 60.4 t -63.87 -48.38 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.558 HD12 HD11 ' A' ' 50' ' ' LEU . 38.0 mt -75.37 -44.43 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 13.6 t-20 67.91 76.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.07 -170.55 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.65 121.51 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -27.33 31.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.1 -39.58 82.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.7 56.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD11 HD12 ' A' ' 43' ' ' LEU . 2.5 tt -136.16 134.58 38.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.628 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -154.67 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 32' ' ' ILE . 2.1 t -112.01 154.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -55.81 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -166.68 161.61 15.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD12 ' HA3' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -141.92 169.12 18.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.33 120.67 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -84.89 130.37 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.24 137.15 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.27 -42.92 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -42.19 -66.51 1.04 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 4.4 ptpt -110.43 -144.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.2 mt -117.14 43.77 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.86 169.82 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -159.1 133.85 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.96 141.01 48.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -158.86 161.4 31.86 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -114.53 133.43 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . . . -104.91 137.64 42.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.541 ' NZ ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -132.0 145.39 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.406 HD11 HD13 ' A' ' 43' ' ' LEU . 24.3 mt -131.6 137.25 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CE1' ' NZ ' ' A' ' 69' ' ' LYS . 9.7 m-85 -95.0 -177.12 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -107.91 -56.12 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.94 125.07 14.49 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 5.8 mp0 -50.83 -21.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -50.55 71.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -76.17 -53.03 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.763 ' CE ' HD11 ' A' ' 86' ' ' LEU . 2.2 ttt -50.06 -53.44 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 74' ' ' GLU . . . -46.42 -26.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -99.88 -67.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.472 HD12 HH22 ' A' ' 16' ' ' ARG . 77.6 mt -47.73 -61.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.836 ' CD ' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -46.81 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.445 ' C ' ' OE2' ' A' ' 81' ' ' GLU . 36.3 p -134.44 166.54 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -57.05 -17.57 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.8 -39.86 42.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.404 ' HB ' ' OE1' ' A' ' 81' ' ' GLU . 6.4 t -69.94 -67.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.836 HD22 ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -48.65 -27.41 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.12 -46.7 68.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ASN . 2.0 mppt? -50.05 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.628 ' HB2' HG11 ' A' ' 51' ' ' VAL . 38.8 t-20 -40.18 109.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ASN . 3.7 mtpt -40.39 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -40.88 -84.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.48 149.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -104.37 179.7 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 13.2 pt-20 -90.24 -162.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 170.6 68.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.247 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.64 -64.81 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -169.71 166.51 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -40.28 -52.25 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.2 m -112.26 160.44 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.19 177.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -153.83 161.65 41.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 tpp . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.484 0.183 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.44 129.6 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.707 HD13 HD21 ' A' ' 39' ' ' LEU . 2.0 mt -109.86 141.91 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 128.13 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 21' ' ' PHE . 37.0 mm -76.38 136.88 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -97.07 -59.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -139.45 170.4 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -133.96 89.93 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.28 142.62 39.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 3.0 p-10 -127.64 144.36 51.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.21 91.51 41.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.16 3.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -53.02 -59.85 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.911 HD13 HH21 ' A' ' 16' ' ' ARG . 33.7 mt -73.78 -11.14 60.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.54 63.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.911 HH21 HD13 ' A' ' 14' ' ' LEU . 9.7 ptt180 -177.78 142.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 6.2 ttt180 -98.63 128.11 44.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -99.52 93.46 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.458 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 1.9 mm -96.0 144.19 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -124.44 139.25 54.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 9.3 p90 -161.29 -179.08 7.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -136.47 162.95 31.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 11.4 p -142.47 134.52 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.6 145.95 38.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 25' ' ' PHE . 3.0 p90 -169.07 164.15 11.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.578 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -120.49 96.91 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 75.77 -59.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.07 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -91.96 112.49 55.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.8 m -154.21 -179.01 7.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.673 HG23 HG12 ' A' ' 52' ' ' VAL . 1.8 mt -59.57 -56.93 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.87 -52.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -30.69 62.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.683 HG12 HD12 ' A' ' 39' ' ' LEU . 6.9 t -79.07 -54.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -55.76 -24.8 37.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.948 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -72.7 -33.26 66.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 13.3 mt -65.0 -30.94 71.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -55.24 -46.6 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.09 -39.38 63.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 38' ' ' LYS . 39.3 t -59.97 -52.6 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.55 HD12 HD11 ' A' ' 50' ' ' LEU . 22.3 mt -78.69 -24.82 44.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.213 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' VAL . 12.3 t-20 45.3 57.23 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 -172.23 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -62.69 115.69 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HB3' HG22 ' A' ' 40' ' ' VAL . 2.5 ptmt -79.44 -13.55 59.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -72.67 -42.16 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 m -115.23 50.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.55 HD11 HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -135.4 134.6 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -154.76 175.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.673 HG12 HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -107.98 142.0 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -57.07 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -177.28 165.28 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -133.52 169.07 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.44 122.31 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -63.94 147.03 52.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.9 mm -93.34 134.16 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.87 -33.43 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.8 -49.41 34.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.544 1.153 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.0 ptpt -148.77 -153.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.4 mt -90.37 40.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.62 161.67 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.226 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -145.42 130.71 18.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.8 148.34 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.1 167.01 37.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.578 ' CE2' ' CG ' ' A' ' 20' ' ' LYS . 1.1 t80 -115.05 136.72 52.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.07 53.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -124.73 148.14 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.494 HD11 HD13 ' A' ' 43' ' ' LEU . 23.7 mt -130.37 130.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 1.3 m-85 -87.9 141.15 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.15 -29.83 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.84 123.58 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.46 -45.93 84.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.84 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -54.2 -46.1 72.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.621 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.2 -47.03 24.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' ILE . 15.9 m -80.76 -57.24 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 8.3 mt -39.96 -65.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.681 ' HG3' HG21 ' A' ' 85' ' ' VAL . 3.0 mm-40 -87.51 -174.81 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -125.27 -163.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.49 -12.42 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.12 -50.69 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.681 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -80.93 -41.27 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -64.44 -19.34 65.48 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -62.38 -52.94 61.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 85' ' ' VAL . 2.4 ptmt -56.09 -34.25 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.585 ' HB2' HG11 ' A' ' 51' ' ' VAL . 18.5 t-20 -119.0 90.39 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -43.49 158.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.63 -76.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.63 169.92 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.81 -179.43 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -81.18 -156.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 170.33 95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.205 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -40.51 -66.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 61.78 151.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -167.75 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.9 m -85.22 119.82 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -169.02 170.22 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.18 169.84 21.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.481 0.181 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.02 136.29 52.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.458 HD13 HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -130.67 142.4 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.26 127.19 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.029 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.569 HD13 ' CB ' ' A' ' 21' ' ' PHE . 11.5 mm -86.28 132.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.14 -64.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.395 1.06 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -133.12 162.04 32.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -134.05 96.63 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.75 159.09 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -129.48 140.93 51.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -128.39 91.14 44.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -36.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -39.92 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.52 -12.58 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.05 34.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.61 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 18.9 mtm105 -117.94 171.65 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.16 142.26 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -131.94 98.13 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.228 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 7' ' ' SER . 3.9 mt -124.16 142.9 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -112.6 142.19 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 9.7 p90 -158.45 -179.62 8.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -137.98 156.14 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.909 HG13 ' HB3' ' A' ' 64' ' ' ALA . 6.7 p -127.49 129.94 70.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -117.26 126.07 52.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.85 146.7 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.871 ' HB3' HD13 ' A' ' 62' ' ' LEU . 1.3 p-10 -127.4 93.27 3.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.12 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.53 155.66 39.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -76.22 120.9 83.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.5 m -116.06 172.72 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -63.87 -54.77 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' CD ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -50.91 -41.5 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -28.84 66.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG12 HD12 ' A' ' 39' ' ' LEU . 5.3 t -79.23 -41.52 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.853 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -64.2 -23.84 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.11 -64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.88 -37.17 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.662 HD12 HG12 ' A' ' 35' ' ' VAL . 13.5 mt -57.95 -32.12 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 36' ' ' LYS . 5.3 t -68.09 -41.57 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.18 -25.76 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 38' ' ' LYS . 55.7 t -81.87 -50.56 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 70' ' ' ILE . 89.0 mt -73.64 -37.59 65.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' VAL . 10.8 t-20 70.49 64.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.54 -174.37 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.25 138.66 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.846 ' HB3' HG21 ' A' ' 40' ' ' VAL . 1.9 ptmt -93.81 -13.02 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -38.22 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -117.63 47.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.621 HD12 HG12 ' A' ' 70' ' ' ILE . 6.1 tt -136.64 135.87 38.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -154.6 164.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.67 144.39 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -57.22 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -171.58 160.99 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD21 ' HB1' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -138.04 169.1 18.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -162.2 120.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.03 145.76 55.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 30.3 mm -92.25 132.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -79.63 -30.76 41.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.72 -51.55 48.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.8 ptpt -142.1 -154.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 26' ' ' ASP . 2.2 mt -92.3 39.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' HB3' ' CG1' ' A' ' 58' ' ' ILE . 1.2 tt0 -98.04 167.35 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.909 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -155.11 120.24 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' ASP . 3.4 tt0 -101.71 141.17 34.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' HA3' HD12 ' A' ' 55' ' ' LEU . . . -159.33 165.1 34.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -113.11 138.16 50.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.97 146.86 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.49 147.96 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.761 HD11 HD13 ' A' ' 43' ' ' LEU . 35.5 mt -136.68 139.07 45.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.61 ' CE2' ' CD ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -114.25 179.85 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -106.03 -38.96 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.65 146.79 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 49.0 mt-10 -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -61.54 -42.7 99.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.348 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -79.38 -50.99 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 10.7 ttp -55.18 -48.39 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.808 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -46.98 -50.97 18.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 80' ' ' ILE . 13.2 m -75.01 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' THR . 7.3 mt -40.25 -66.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.74 ' HG3' HG21 ' A' ' 85' ' ' VAL . 2.6 mm-40 -89.51 -172.46 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 110.269 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.431 ' O ' HD22 ' A' ' 86' ' ' LEU . 42.7 p -122.36 -164.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -69.91 -26.31 64.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.37 -46.39 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.74 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.3 t -79.12 -46.17 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -61.13 -19.48 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -63.01 -53.39 54.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 89' ' ' ASN . 1.6 ptmt -62.01 -33.82 75.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 18.3 t30 -83.69 104.08 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -61.73 147.93 44.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -116.3 -80.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 172.69 8.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.13 -169.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 95' ' ' ALA . 14.3 pt-20 -79.2 -155.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 59.74 65.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -54.51 -60.93 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 63.11 128.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 99' ' ' VAL . 12.0 tt0 -168.07 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.543 ' O ' ' O ' ' A' ' 98' ' ' GLU . 8.6 m 44.52 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 101' ' ' GLU . . . -51.88 158.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 3.6 tt0 82.67 164.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.343 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tpp . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.442 0.163 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.92 134.9 54.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' THR . 11.3 mt -134.73 142.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 125.59 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 109.966 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.444 HD11 HG11 ' A' ' 42' ' ' VAL . 28.4 mm -76.36 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.469 HG21 ' HE3' ' A' ' 20' ' ' LYS . 14.3 mm -100.52 -56.28 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.1 m -146.6 156.33 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.072 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -134.26 90.56 2.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 158.63 15.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.3 130.83 45.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' ARG . 46.5 m-80 -122.9 91.49 49.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -42.86 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -40.71 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.767 HD13 HH21 ' A' ' 16' ' ' ARG . 9.1 mt -65.77 -15.57 62.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.57 40.76 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.767 HH21 HD13 ' A' ' 14' ' ' LEU . 24.9 mtm105 -128.31 170.78 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 139.34 54.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.01 100.42 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.627 1.205 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 7' ' ' SER . 5.8 mt -124.98 127.71 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 148.39 26.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.988 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 33.9 p90 -161.21 -179.8 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -135.5 147.89 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.709 ' CG1' HD21 ' A' ' 55' ' ' LEU . 7.4 p -129.99 131.37 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.093 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 1.4 t -119.98 155.51 32.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' ALA . 32.1 p90 -169.34 166.64 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.8 m-20 -97.45 83.62 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 26' ' ' ASP . . . 71.8 -59.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . -38.77 108.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.4 109.8 60.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.373 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.675 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.2 m -122.75 -174.84 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB ' ' A' ' 52' ' ' VAL . 1.3 mt -68.42 -57.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HA ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -59.81 -35.37 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.5 OUTLIER -74.77 -27.93 60.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.344 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 31' ' ' SER . 3.2 t -81.29 -55.21 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -51.29 -25.91 6.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.435 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -51.53 -50.93 59.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -49.47 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.988 HD11 ' CZ ' ' A' ' 21' ' ' PHE . 83.9 mt -51.43 -35.57 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 36' ' ' LYS . 2.3 t -55.18 -43.02 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.75 -40.07 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 HD11 ' A' ' 5' ' ' ILE . 91.6 t -61.23 -52.69 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -41.23 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' VAL . 14.3 t-20 67.56 60.18 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.59 -170.19 2.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 42.1 t-20 -72.99 91.56 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.72 -23.22 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CD ' ' OD1' ' A' ' 46' ' ' ASN . 34.2 mt-30 -58.24 -71.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 m -88.24 55.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 70' ' ' ILE . 6.6 tt -136.4 136.86 39.93 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.6 t -153.46 174.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 32' ' ' ILE . 2.1 t -111.03 154.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -57.07 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -171.52 168.26 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.709 HD21 ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -147.02 167.75 23.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.3 122.85 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.484 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 37.3 tt0 -80.72 117.87 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' GLU . 1.8 mt -63.94 146.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -92.36 -34.29 14.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.92 -60.06 2.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.53 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -114.8 -111.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 61' ' ' LYS . 18.4 mt -149.7 21.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.519 ' OE1' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -92.38 176.47 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -151.91 150.59 30.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -124.93 142.5 51.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.3 157.81 30.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 1.6 t80 -107.99 143.67 36.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -111.43 140.02 46.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 144.41 50.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.629 ' CD1' HD12 ' A' ' 50' ' ' LEU . 24.9 mt -138.83 134.58 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.6 p90 -114.27 151.06 33.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.54 -35.19 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -151.19 141.49 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.06 -31.19 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.34 -43.87 71.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.93 9.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.611 1.194 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 71' ' ' TYR . 1.5 ttp -53.59 -50.45 65.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.391 1.057 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.952 ' HA ' HD21 ' A' ' 86' ' ' LEU . . . -47.42 -32.24 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 80' ' ' ILE . 5.2 m -88.57 -50.03 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 79' ' ' THR . 68.7 mt -40.07 -67.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.694 ' HG3' HG21 ' A' ' 85' ' ' VAL . 1.4 mm-40 -98.91 -176.23 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 110.228 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -103.98 -167.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -68.23 -12.22 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.246 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -62.68 -50.73 70.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.448 1.093 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.694 HG21 ' HG3' ' A' ' 81' ' ' GLU . 2.6 t -75.97 -40.42 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.952 HD21 ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -67.59 -22.77 65.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -57.0 -45.7 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -53.1 -69.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.423 ' HA ' HG11 ' A' ' 51' ' ' VAL . 46.7 t30 -50.24 113.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ASN . 5.6 mtpt -39.87 155.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -42.37 -88.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 67.76 147.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -106.64 -179.05 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.2 pt-20 -91.79 -162.27 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 173.96 67.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.43 -67.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -169.11 167.87 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -41.38 -50.55 3.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.82 133.22 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -176.32 137.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -165.19 163.45 20.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.252 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpp? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.511 0.196 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.73 97.03 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 23' ' ' VAL . 2.6 mt -112.55 140.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.08 126.74 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.2 mm -80.21 129.53 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.4 mm -92.65 -58.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -137.37 156.18 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -133.9 91.05 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.46 155.89 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -131.72 134.03 45.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -125.74 91.38 48.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mp -40.34 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.05 -13.83 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.4 35.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.186 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.732 ' NH2' ' H ' ' A' ' 72' ' ' ASN . 0.7 OUTLIER -117.54 172.84 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.09 127.23 26.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -120.45 107.45 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 7' ' ' SER . 5.7 mt -125.12 127.72 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.36 143.41 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.663 ' HE1' ' HB2' ' A' ' 68' ' ' ALA . 29.7 p90 -160.5 -179.53 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -132.2 148.2 52.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 64' ' ' ALA . 9.7 p -121.92 129.87 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 135.88 54.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.966 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -167.36 146.1 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.45 ' HA ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -122.46 92.51 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.08 -78.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.94 159.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -78.1 116.49 59.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -113.84 174.42 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.068 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.22 -57.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.97 -29.13 64.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -75.13 -34.28 61.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.77 HG12 ' CD1' ' A' ' 39' ' ' LEU . 16.4 t -79.71 -47.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -49.47 -28.27 5.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -52.04 -56.16 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -45.71 60.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.356 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.77 ' CD1' HG12 ' A' ' 35' ' ' VAL . 64.8 mt -49.61 -39.16 34.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.2 t -55.11 -42.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -40.29 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.81 -52.53 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 50' ' ' LEU . 47.8 mt -73.44 -41.12 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.2 t-20 70.78 54.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.3 -172.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.35 122.45 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.38 -37.83 39.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.628 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.8 mt-30 -86.89 -179.18 6.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 48' ' ' GLN . 16.7 m 47.96 31.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD12 HG12 ' A' ' 70' ' ' ILE . 2.7 tt -135.45 133.45 38.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 50' ' ' LEU . 1.3 t -154.39 174.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.492 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.9 t -104.57 150.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -80.49 -55.97 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -168.69 164.89 12.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -144.59 168.05 21.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.25 117.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -65.08 143.36 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.409 HG13 ' HB3' ' A' ' 63' ' ' GLU . 5.9 mm -91.45 133.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -78.76 -44.56 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.1 -57.44 2.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 3.3 ptpt -137.31 -156.32 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 26' ' ' ASP . 1.8 mt -91.98 45.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HB3' HG13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -104.47 163.69 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB3' HG13 ' A' ' 23' ' ' VAL . . . -151.27 130.4 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.03 140.38 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.69 38.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CD1' ' CG ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -116.56 144.48 44.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.067 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.663 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . . . -103.73 158.77 16.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.617 ' CE ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -145.11 148.34 33.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.638 HG12 HD12 ' A' ' 50' ' ' LEU . 73.3 mt -144.08 128.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' LYS . 1.2 m-85 -107.15 156.01 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.732 ' H ' ' NH2' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -75.44 -73.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -128.11 127.91 43.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 -24.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 73' ' ' ASP . 1.6 mtmt -56.14 -49.59 73.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.66 -53.08 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.1 ttp -51.77 -44.82 63.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.28 -30.08 11.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 m -99.3 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 81' ' ' GLU . 14.7 mt -44.75 -74.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.86 ' HG2' HG11 ' A' ' 85' ' ' VAL . 2.6 mp0 -56.1 175.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.7 p -129.72 177.82 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -25.44 60.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -41.81 98.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.86 HG11 ' HG2' ' A' ' 81' ' ' GLU . 2.9 t -77.92 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.57 -24.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -56.84 -47.32 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 53' ' ' ASP . 3.3 ptmt -62.63 -34.57 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.407 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 11.0 t-20 -68.68 106.05 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.14 149.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.88 -83.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.373 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 5.1 tp10 -172.12 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 2.9 pt-20 -111.55 178.83 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 12.7 pt-20 -84.72 -163.32 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 94' ' ' GLU . . . 169.68 87.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -39.2 -62.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -172.4 166.21 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.541 ' O ' ' O ' ' A' ' 99' ' ' VAL . 15.5 tt0 -168.14 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 98' ' ' GLU . 11.6 m 44.66 102.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.27 -69.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -173.54 170.18 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.926 . . . . . . . . 1 1 . 1 stop_ save_