data_1uit_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 1uit _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 ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.83 107.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 2.4 mt-10 -40.8 159.13 0.16 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 150.18 37.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 19' ' ' GLU . 2.4 ptp180 -126.58 163.35 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 96' ' ' LEU . 2.0 m80 -118.52 101.56 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.2 t -92.71 121.87 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -82.25 148.93 28.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.5 ' CG1' HG21 ' A' ' 54' ' ' ILE . 7.8 t -131.0 130.82 64.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.59 71.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 1.4 mmtt -54.45 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . 77.98 42.9 15.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 79.12 41.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.733 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -144.7 158.07 54.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.77 15.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD2' HG12 ' A' ' 34' ' ' ILE . 22.1 tp -87.36 -50.2 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.7 69.47 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.562 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -152.35 148.73 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -101.3 142.78 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 HD13 ' CB ' ' A' ' 82' ' ' ALA . 2.2 pp -134.97 150.2 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -136.15 149.19 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -100.25 147.0 26.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.2 mm -100.88 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -132.59 140.28 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 50.7 t -68.22 126.08 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.557 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -100.24 -20.02 16.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -175.22 165.72 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 34' ' ' ILE . 3.2 p -150.3 100.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -44.83 131.05 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 49.3 t -84.6 129.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 98.93 -8.85 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' ILE . 3.9 m -89.55 166.86 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.5 HG21 ' CG1' ' A' ' 25' ' ' VAL . 46.3 mm -38.5 -62.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.84 -67.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.493 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 6.1 t-80 -37.51 -57.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.47 -47.13 38.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -39.06 82.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.77 48.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.3 mt -96.21 146.95 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -135.7 169.86 16.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 6.3 t80 -74.13 151.47 40.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.517 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 92.05 -30.14 6.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.69 104.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.37 121.46 18.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.15 111.38 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -81.79 -56.28 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.67 142.74 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.614 ' CD2' ' CG2' ' A' ' 85' ' ' ILE . 44.6 t80 -112.23 100.55 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.402 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 62.9 13.62 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.23 -45.1 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 73' ' ' ASN . 1.6 mt -44.84 158.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 7.7 t-20 -106.05 106.81 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 4.3 mm? -74.55 -27.36 60.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.36 -26.68 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.38 -27.8 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -56.71 135.23 55.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -87.42 170.85 11.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.92 -38.41 78.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 19.5 pt20 -69.7 -36.24 75.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 80' ' ' GLN . 37.3 mt-30 -77.24 -47.57 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.466 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -56.4 -41.77 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.97 -17.27 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -99.43 -54.92 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.614 ' CG2' ' CD2' ' A' ' 69' ' ' PHE . 14.5 mt -44.09 -47.94 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.555 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.1 pt -70.93 -32.7 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -90.48 41.7 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.89 -174.36 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.433 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -117.44 95.55 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.02 113.19 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -41.45 -52.73 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.8 m -127.68 123.79 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.28 147.34 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.3 m -108.51 165.18 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.7 143.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 22' ' ' HIS . 31.1 tp -112.22 90.19 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.62 175.4 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' TYR . 47.4 tt0 -171.37 80.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 60.1 t80 -36.92 131.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -127.6 115.94 21.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 2.0 mt-10 -49.87 107.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -39.21 153.27 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 145.63 31.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -125.4 171.69 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -120.74 102.17 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -89.73 120.84 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -82.88 150.97 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.554 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 22.7 t -131.38 134.13 61.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 67.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.69 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 -65.45 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -168.31 35.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.48 158.82 74.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.62 36.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 34' ' ' ILE . 11.2 tp -71.94 -60.38 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 59.41 2.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.098 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pp -145.41 142.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -99.67 144.26 28.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.47 154.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.54 148.44 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -102.32 147.02 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 mm -123.54 136.0 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -130.87 135.67 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.95 124.99 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -94.2 -22.73 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' NZ ' ' O ' ' A' ' 47' ' ' SER . 0.8 OUTLIER -177.19 169.58 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 34' ' ' ILE . 2.4 p -150.58 118.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.6 m -53.39 169.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.6 p -110.29 144.72 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.53 14.44 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ILE . 1.1 m -102.9 161.96 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.554 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 47.6 mm -38.55 -65.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.567 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.7 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.473 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 32.7 t-80 -41.28 -46.73 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.61 -42.64 97.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.86 -35.22 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 45.8 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.0 173.86 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.46 174.81 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.1 t80 -85.13 148.28 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 91.02 -18.39 51.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.84 105.63 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -72.62 125.95 28.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.59 107.41 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 mt -80.56 -48.03 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -151.91 133.24 14.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 41.0 t80 -104.28 105.06 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.407 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 58.67 17.03 4.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.4 -44.39 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 85' ' ' ILE . 1.9 mt -40.41 145.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 72' ' ' ILE . 7.8 t-20 -92.41 100.66 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 2.9 mm? -69.36 -46.85 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 22.5 mtt180 -39.65 111.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 85.29 33.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -105.35 154.34 20.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 p -98.65 147.92 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.45 -40.98 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' NE2' ' HG3' ' A' ' 81' ' ' GLN . 1.3 pp0? -64.92 -32.84 74.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' THR . 11.8 mt-30 -72.19 -50.26 29.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.74 -56.59 16.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -49.8 -22.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.5 mt -90.43 -52.43 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 72' ' ' ILE . 77.5 mt -55.1 -51.41 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.575 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.5 pt -68.72 -39.52 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.2 42.83 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.443 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 2.8 mt-30 -102.99 -173.06 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -106.49 144.19 33.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.06 112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.332 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -46.53 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -130.79 124.29 31.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.505 HD11 ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -135.06 148.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.0 m -107.12 168.37 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.44 138.14 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 tp -108.4 88.62 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.84 176.53 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 41.0 tt0 -175.35 82.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -37.54 142.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -140.03 115.24 7.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 HG21 ' CD ' ' A' ' 101' ' ' PRO . 8.3 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -47.58 109.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 156.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.572 1.828 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -103.4 160.03 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CE1' ' CD1' ' A' ' 96' ' ' LEU . 1.8 m80 -116.31 110.01 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.84 126.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -85.96 150.75 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 12.8 t -133.07 132.41 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.83 73.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 30' ' ' GLU . 12.6 mmtt -55.83 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 -61.8 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 p -163.74 32.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 1.6 mm-40 -146.27 158.04 48.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.1 -54.35 8.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.44 62.96 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.76 143.34 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -93.06 146.49 23.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.8 pp -135.63 159.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -145.35 149.18 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -100.83 149.31 23.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 14.3 mm -98.1 138.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 89.8 m-85 -127.34 138.45 53.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 44.3 t -65.38 127.92 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -99.67 -24.08 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CB ' HG22 ' A' ' 34' ' ' ILE . 1.4 p -143.79 125.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -63.5 125.24 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -75.39 125.21 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.87 -5.02 68.9 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -86.81 164.04 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.533 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 42.0 mm -38.14 -63.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -39.38 -65.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 t-80 -37.69 -52.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -55.09 -47.1 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.46 -43.37 93.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.06 49.47 0.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.73 152.58 20.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.57 172.0 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -83.59 153.54 24.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.576 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.85 -12.66 56.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.31 87.66 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.2 tt0 -54.53 119.01 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.03 113.45 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 HD11 ' CB ' ' A' ' 98' ' ' GLN . 66.8 mt -83.73 -53.48 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -143.53 144.17 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.584 ' CD2' ' CG2' ' A' ' 85' ' ' ILE . 49.7 t80 -116.89 91.35 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.417 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.3 t-20 69.48 8.86 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.96 -43.99 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.27 123.95 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -73.93 114.89 12.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 4.0 mm? -77.75 -28.46 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -55.17 -33.82 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -12.49 19.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -74.43 158.82 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.456 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -107.78 -171.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.406 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.76 -35.97 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -75.84 -44.19 42.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.456 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.1 OUTLIER -66.57 -44.11 83.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.07 79.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 36' ' ' ILE . 31.4 mtp85 -69.31 -13.87 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.1 -54.7 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.584 ' CG2' ' CD2' ' A' ' 69' ' ' PHE . 15.0 mt -45.04 -48.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.9 pt -70.73 -29.65 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -89.47 32.42 4.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -93.08 -174.11 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -111.71 130.34 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.03 109.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -49.22 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 m -130.38 125.09 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.467 ' CD1' ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.31 151.0 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -108.45 165.37 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.5 mt -139.45 140.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.537 ' CD1' ' CE1' ' A' ' 22' ' ' HIS . 51.6 tp -112.03 99.77 8.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.42 170.41 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.461 ' CB ' HD11 ' A' ' 67' ' ' LEU . 54.5 tt0 -164.07 77.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -40.42 134.67 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -126.88 114.13 22.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.429 ' CD ' HG21 ' A' ' 17' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.8 mm-40 -78.37 101.33 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.9 mt-10 -38.58 157.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.23 22.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.91 169.84 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 96' ' ' LEU . 6.5 m80 -124.67 82.14 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.637 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.02 130.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -93.19 159.18 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.53 ' CG1' HG21 ' A' ' 54' ' ' ILE . 25.4 t -133.8 133.85 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.63 68.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' CD ' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -54.42 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.96 -68.84 2.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -164.42 39.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.85 162.12 56.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 34' ' ' ILE . 12.1 tp -89.11 -54.02 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.49 62.43 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.571 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.3 pt -142.13 145.29 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -107.97 142.1 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.5 pp -134.28 156.23 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 9.6 m -140.39 156.38 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -109.08 146.4 34.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.047 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 17.1 mm -121.02 132.5 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -124.72 138.57 54.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 41.4 t -67.05 124.67 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.498 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 1.4 t -95.12 -24.47 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.86 172.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.26 120.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 51' ' ' VAL . 18.6 m -57.7 149.71 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.479 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 4.3 p -93.63 134.81 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.21 -31.67 5.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -60.54 163.31 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.53 HG21 ' CG1' ' A' ' 25' ' ' VAL . 42.9 mm -39.52 -58.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.571 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.65 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 2.9 t-80 -38.82 -58.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -47.41 -44.82 24.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.54 -41.84 97.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 44.5 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 mt -84.08 157.99 21.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.03 167.21 23.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.9 t80 -81.11 154.35 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.18 -5.35 63.36 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 94.11 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -59.84 120.82 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.31 102.25 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.1 mt -75.15 -47.43 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 23.5 mt-10 -148.89 146.09 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CD1' HG22 ' A' ' 85' ' ' ILE . 27.7 t80 -127.27 107.89 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.29 12.83 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.93 4.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' LEU . 1.8 mt -115.38 119.46 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -60.65 -47.26 87.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' SER . 6.3 mtp180 -38.1 116.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 86.04 26.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -100.85 137.58 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.4 p -83.06 141.85 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -40.76 -35.93 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -67.0 -46.9 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -58.99 -54.96 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -49.32 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' ALA . 43.3 mtm180 -38.64 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' ALA . 5.3 mt -86.5 -55.97 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.576 HG22 ' CD1' ' A' ' 69' ' ' PHE . 64.0 mt -52.34 -50.37 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.2 pt -71.27 -40.99 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.05 44.64 3.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -103.16 -173.4 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -106.37 147.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.89 112.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -44.38 -48.79 9.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.0 m -131.44 126.11 34.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.546 HD12 ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -136.35 149.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.4 m -107.83 165.47 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.57 148.16 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.3 tp -120.78 91.5 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.3 177.6 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' TYR . 50.6 tt0 -172.23 77.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -37.27 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -136.24 119.84 12.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -47.99 108.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.31 159.32 0.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 148.5 35.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -126.67 163.79 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -117.45 103.43 10.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -100.03 120.21 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -81.37 156.61 25.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.55 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 25.4 t -135.05 137.31 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -112.03 72.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HD2' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -59.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.99 -61.14 0.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -170.71 34.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 3.9 mm-40 -138.94 159.21 67.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' CD2' HG12 ' A' ' 34' ' ' ILE . 13.3 tp -67.48 -59.81 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.92 57.23 1.95 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.504 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -151.3 145.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -101.09 145.03 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 82' ' ' ALA . 2.7 pp -136.67 154.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 4.3 m -134.05 152.3 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -102.37 146.79 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.4 mm -137.87 135.49 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 51.2 m-85 -137.97 133.25 33.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.32 134.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.05 -20.19 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 162.84 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -127.43 161.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.446 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 93.1 m -107.9 132.65 53.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.85 136.44 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.69 24.55 71.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -106.33 155.44 19.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.55 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 34.5 mm -40.14 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.74 -57.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -43.51 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ILE . 37.0 mt-30 -62.02 -41.88 98.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.84 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.82 41.08 2.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -84.48 -177.24 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.12 166.0 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.8 t80 -75.74 151.41 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.99 -13.85 58.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.56 103.47 5.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 2.8 tt0 -67.65 131.13 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.3 123.57 35.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.59 -57.89 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -142.34 144.86 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' HG22 ' A' ' 85' ' ' ILE . 37.2 t80 -114.92 106.33 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.413 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.1 m-20 56.12 19.12 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.27 -36.66 3.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.426 HD12 ' CG2' ' A' ' 85' ' ' ILE . 1.2 mt -48.44 149.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -98.7 92.69 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.4 mt -75.91 -24.63 55.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -22.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.11 51.12 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.54 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 71.0 p -83.86 -179.69 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.6 pt-20 -74.36 -37.97 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -67.18 -44.91 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.455 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.1 OUTLIER -65.91 -41.55 91.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.427 ' CB ' HD11 ' A' ' 36' ' ' ILE . . . -64.62 -40.84 96.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -65.07 -10.81 33.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.22 -54.04 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 69' ' ' PHE . 14.7 mt -49.52 -39.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 pt -78.01 -31.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.44 25.74 10.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -91.84 -173.23 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -105.86 145.37 31.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.82 104.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 108.266 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.08 -43.19 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.6 m -136.11 121.96 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.457 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -130.88 144.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.7 m -106.33 154.85 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 83.9 mt -132.71 140.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.4 tp -111.0 85.63 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.46 169.2 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -160.91 79.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -38.07 126.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -133.74 115.95 13.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.977 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.5 mm-40 -80.73 101.01 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 4.7 mm-40 -38.49 156.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.45 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.21 171.75 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -123.66 85.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.625 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.0 t -79.35 119.54 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -81.74 160.92 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' CG1' HG22 ' A' ' 54' ' ' ILE . 27.2 t -135.28 136.2 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -111.72 68.99 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' NZ ' HG23 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -56.47 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.18 -69.42 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.78 36.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -139.18 162.23 53.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 34' ' ' ILE . 15.9 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.25 67.74 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.602 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -152.53 161.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -115.72 143.04 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.7 pp -133.58 149.15 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -135.33 148.53 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -100.7 146.97 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.4 mm -125.11 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 82.4 m-85 -128.79 141.12 51.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.53 125.12 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.507 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -94.26 -22.7 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.48 172.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 p -150.84 113.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 51' ' ' VAL . 17.1 m -55.58 149.68 13.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 56' ' ' HIS . 4.0 p -93.51 135.74 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.92 -24.24 13.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -68.84 159.29 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.538 HG22 ' CG1' ' A' ' 25' ' ' VAL . 32.1 mm -40.11 -59.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.64 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.561 ' CE1' HG21 ' A' ' 51' ' ' VAL . 1.1 t-80 -37.04 -57.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.66 -47.6 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.26 -34.58 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' HIS . . . 98.6 41.98 3.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.04 156.8 26.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -145.88 165.01 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 6.9 t80 -77.79 151.98 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.31 -13.31 55.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.7 tt0 -60.99 117.25 5.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -74.57 107.97 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 98' ' ' GLN . 64.3 mt -76.54 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -146.47 121.62 10.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.577 ' CD1' HG22 ' A' ' 85' ' ' ILE . 12.5 t80 -94.34 114.36 26.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.96 14.68 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.68 37.38 5.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.6 mt -116.14 125.0 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -56.96 97.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.72 -26.59 16.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -48.36 -23.59 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 m -127.88 53.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.27 159.88 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.468 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 82.1 p -97.47 -176.75 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -75.62 -37.51 59.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -66.57 -47.41 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.255 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 84' ' ' LEU . . . -50.4 -64.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -30.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 82' ' ' ALA . 8.1 mt -84.31 -52.7 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.577 HG22 ' CD1' ' A' ' 69' ' ' PHE . 49.8 mt -54.41 -55.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.507 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 3.0 pt -66.83 -36.4 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.61 41.78 3.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.79 -173.83 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -113.3 143.82 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 161.65 121.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -49.34 -50.2 40.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.8 m -129.27 122.9 30.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.404 HG23 ' NZ ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -132.37 144.14 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.9 m -103.74 156.29 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -132.42 141.03 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.5 tp -109.73 90.7 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.56 161.99 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.464 ' CB ' HD12 ' A' ' 67' ' ' LEU . 23.5 tt0 -159.36 75.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 20.8 t80 -37.78 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -145.92 118.12 5.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.957 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 5.9 mt-10 -41.12 107.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.3 mt-10 -37.59 156.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.07 13.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -105.52 169.4 8.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' CD2' ' A' ' 96' ' ' LEU . 1.9 m80 -118.62 107.56 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.37 120.24 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.48 154.05 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.605 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 27.5 t -134.23 135.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.63 72.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 14.8 mttt -64.07 -100.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.81 -70.23 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.04 32.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -145.76 157.79 50.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -75.46 -54.01 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 64.59 1.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.487 HG22 ' CB ' ' A' ' 55' ' ' ALA . 1.3 pt -147.69 145.67 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -98.66 142.96 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.6 pp -132.15 160.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -150.62 148.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -99.99 148.59 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 17.7 mm -127.05 132.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 65' ' ' GLN . 91.2 m-85 -119.76 146.82 45.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -76.32 121.89 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.463 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -94.31 -19.2 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.12 169.54 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 34' ' ' ILE . 2.6 p -149.27 102.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -38.59 142.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 70.5 t -93.07 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 92.32 -5.31 77.85 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.7 167.46 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.605 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 46.4 mm -38.94 -64.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -37.99 -65.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 1.9 t-80 -38.47 -52.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.89 -45.94 78.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.18 -45.01 94.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.66 48.8 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.47 152.95 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.89 172.74 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.1 t80 -86.53 154.67 20.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 82.88 -9.21 60.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.0 92.55 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.57 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 2.1 tt0 -59.21 133.32 55.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.33 122.88 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -97.99 -40.86 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LEU . 55.5 mt-10 -148.86 139.05 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 86' ' ' ILE . 34.4 t80 -115.93 105.05 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 3.9 t-20 58.86 16.31 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.86 -32.2 4.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 73' ' ' ASN . 2.6 mt -50.23 162.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.476 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 2.5 t30 -107.95 105.19 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ALA . 4.0 mm? -79.68 -41.62 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.62 -29.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -120.17 45.51 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -125.13 -176.43 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.74 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 43.6 p -135.31 -177.91 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.6 pt-20 -69.59 -35.46 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 81' ' ' GLN . 18.4 pt20 -70.25 -51.89 27.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.74 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.2 OUTLIER -56.36 -59.31 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . . . -42.6 -63.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -41.49 -35.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.09 -43.96 18.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' ALA . 55.7 mt -58.11 -57.5 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 13.5 pt -64.39 -30.9 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.97 37.0 3.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -99.41 -174.23 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -112.97 142.06 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 166.29 122.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -52.95 -48.62 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.7 m -132.95 123.18 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -133.33 152.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -108.38 162.69 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 69' ' ' PHE . 36.1 mt -139.99 141.19 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.593 ' CD2' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -110.85 113.78 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -123.1 176.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 29.2 tt0 -171.83 93.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -43.25 138.19 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -126.7 113.56 22.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.51 106.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 159.69 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.6 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -132.2 157.11 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' CE1' ' CD1' ' A' ' 96' ' ' LEU . 1.4 m80 -114.41 102.79 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -97.63 125.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 158.43 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 54' ' ' ILE . 23.7 t -133.11 134.32 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.79 68.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.01 -67.4 1.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.64 37.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -141.9 161.38 51.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.9 21.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' CD2' HG12 ' A' ' 34' ' ' ILE . 17.8 tp -79.05 -55.13 5.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.48 68.12 1.53 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.517 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -153.97 150.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.75 150.3 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.06 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.4 pp -141.26 153.44 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -139.79 149.26 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -102.03 147.03 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 18.8 mm -117.59 137.61 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 69.5 m-85 -127.14 143.96 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.03 129.95 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.541 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -103.37 -15.32 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.32 166.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 34' ' ' ILE . 3.4 p -150.5 114.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.5 m -54.99 144.92 21.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -97.13 128.78 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 2.26 62.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ILE . 56.2 m -100.54 168.43 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.538 HG23 ' CG1' ' A' ' 25' ' ' VAL . 40.2 mm -39.44 -62.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.517 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.2 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -39.83 -49.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -57.62 -43.66 84.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -63.6 -37.21 86.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 54.71 0.82 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.1 mt -98.33 166.25 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -159.07 167.15 30.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.3 t80 -79.53 154.33 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.6 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.62 -12.03 60.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.99 97.64 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.3 tt0 -64.03 125.19 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.37 108.53 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.11 -55.02 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -144.88 139.98 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CD1' ' CG2' ' A' ' 85' ' ' ILE . 47.1 t80 -111.54 102.56 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 57.88 17.8 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.44 -39.42 2.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.443 ' CG2' HG22 ' A' ' 85' ' ' ILE . 1.9 mt -54.12 129.69 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -80.25 114.56 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 4.3 mm? -81.29 -37.27 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -41.51 -34.96 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -99.33 -34.45 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -53.18 146.03 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 67.1 p -94.23 -170.84 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -74.28 -37.83 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -72.28 -43.0 64.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -67.8 -40.44 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.25 99.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -63.45 -13.14 37.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.53 -54.89 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.571 ' CG2' ' CD1' ' A' ' 69' ' ' PHE . 17.7 mt -47.14 -50.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.564 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.6 pt -67.66 -35.41 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.84 44.52 3.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.19 -173.87 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.3 94.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.45 119.15 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.95 -51.28 9.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.8 m -132.54 125.58 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -134.43 152.3 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -109.62 162.36 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.444 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 96' ' ' LEU . 72.4 mt -137.68 139.57 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.489 ' CD1' ' CE1' ' A' ' 22' ' ' HIS . 56.8 tp -111.8 96.56 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.31 171.46 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -162.04 80.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -37.39 136.53 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -133.46 118.62 14.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' GLU . 3.0 mt-10 -80.04 101.45 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.47 151.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.509 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.95 95.48 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 1.9 ptm85 -80.31 155.87 27.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.507 ' N ' ' HD1' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -104.91 89.23 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.549 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 60.2 t -70.69 123.56 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -85.51 157.06 20.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.516 ' CG1' HG23 ' A' ' 54' ' ' ILE . 6.8 t -134.32 131.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.38 69.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -53.08 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.44 -57.24 5.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.22 151.79 37.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.28 31.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 34' ' ' ILE . 9.7 tp -66.66 -60.76 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.56 57.63 2.71 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.569 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 2.0 pt -138.35 140.51 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.67 150.68 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 82' ' ' ALA . 2.6 pp -140.15 153.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.4 m -136.8 148.82 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -100.41 145.69 27.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 25.4 mm -118.85 132.35 68.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -127.59 136.9 52.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.53 126.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.575 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -103.44 -15.69 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.18 161.96 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 55' ' ' ALA . 3.1 p -151.66 104.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 m -42.68 144.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.27 135.91 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.0 -30.13 5.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 167.98 10.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.516 HG23 ' CG1' ' A' ' 25' ' ' VAL . 43.7 mm -39.56 -57.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.569 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.33 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 55' ' ' ALA . 4.1 t-80 -39.05 -55.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.644 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -51.46 -46.89 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.73 36.68 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.29 137.84 32.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -126.91 172.64 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 8.5 t80 -81.22 152.51 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.483 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.01 -16.87 44.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.18 114.67 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.32 123.96 28.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.09 127.1 34.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.509 ' CD1' ' CB ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -90.88 -56.37 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -142.56 157.16 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 42.2 t80 -122.92 104.41 9.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 59.64 17.97 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.78 -32.41 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.481 ' CG2' HG22 ' A' ' 85' ' ' ILE . 4.8 mt -59.25 133.61 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -73.88 127.18 32.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mt -111.85 -33.2 6.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -43.51 -27.29 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -130.41 51.37 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.83 157.03 28.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 p -94.53 153.56 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.59 -23.83 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -82.02 -57.39 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.503 ' N ' HE21 ' A' ' 81' ' ' GLN . 0.0 OUTLIER -58.35 -32.62 68.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.467 ' CB ' HD12 ' A' ' 36' ' ' ILE . . . -68.82 -44.34 73.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -68.16 -8.0 34.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -98.92 -54.26 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 69' ' ' PHE . 20.2 mt -51.48 -53.26 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.567 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.0 pt -60.37 -23.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 9.89 71.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 8.0 mm-40 -62.96 -174.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.464 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -131.54 119.01 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -170.37 123.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.57 -51.58 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.1 m -126.78 117.96 23.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.429 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -128.39 141.47 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -98.24 154.1 18.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' VAL . 76.5 mt -134.89 143.45 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.4 107.31 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.54 164.64 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.45 ' HG3' ' CA ' ' A' ' 20' ' ' PRO . 38.5 tt0 -155.62 78.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.24 125.31 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -122.99 115.01 29.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.45 105.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -37.74 155.81 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 141.21 26.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -110.61 163.92 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -114.22 95.11 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.6 t -86.05 120.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -86.17 153.16 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.54 ' CG1' HG23 ' A' ' 54' ' ' ILE . 19.1 t -131.74 132.34 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.05 70.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' CE ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.8 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.86 -67.27 2.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -159.85 40.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.22 157.1 57.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD13 ' CE ' ' A' ' 27' ' ' LYS . 14.2 tp -78.24 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.73 61.21 2.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.599 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.5 151.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -109.95 143.57 39.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.2 pp -132.4 150.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.5 m -137.1 151.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -104.48 148.39 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 16.3 mm -127.6 141.16 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 77.1 m-85 -126.3 150.33 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.61 128.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.504 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -99.71 -20.44 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 167.62 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 34' ' ' ILE . 2.5 p -149.97 113.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -55.58 134.45 50.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -85.86 131.46 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.99 -14.64 64.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -82.73 165.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.54 HG23 ' CG1' ' A' ' 25' ' ' VAL . 32.3 mm -38.49 -59.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.84 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ALA . 11.8 t-80 -37.3 -56.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -49.57 -46.35 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.91 -44.53 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.57 46.32 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.83 153.99 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -144.22 163.98 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.9 t80 -80.24 154.88 27.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 76.82 -1.54 62.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 89.29 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.6 tt0 -48.8 133.11 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -88.86 113.92 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.614 ' CD1' ' CD1' ' A' ' 96' ' ' LEU . 15.3 mt -82.14 -71.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -134.73 137.81 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 54.7 t80 -106.06 99.14 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.432 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 58.09 17.57 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.86 -44.57 1.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 85' ' ' ILE . 3.8 mt -50.78 129.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -82.04 120.29 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.74 -40.25 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 2.5 mtp-105 -38.08 -35.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.23 57.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.31 173.36 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.3 p -124.16 149.45 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.456 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -44.82 -38.11 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.79 -38.56 86.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.57 -54.57 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.32 -41.78 13.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -65.58 -34.17 77.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' GLN . 13.0 mt -78.44 -39.6 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 88' ' ' GLN . 41.9 mt -63.13 -64.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.583 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.4 pt -53.0 -24.72 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.23 15.82 61.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.7 mm-40 -66.06 -174.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.98 124.38 39.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.83 124.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.88 -53.79 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.2 m -130.44 122.22 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.432 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -130.31 147.55 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 m -108.4 158.12 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.8 mt -139.65 147.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.614 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 2.8 tm? -114.71 115.13 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.18 176.73 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -169.28 90.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -38.97 135.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -126.46 106.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.938 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' CG2' ' HD2' ' A' ' 101' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.5 mt-10 -59.35 108.25 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' GLU . 6.3 mt-10 -37.01 154.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 164.11 23.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 96' ' ' LEU . 2.0 m80 -115.15 99.76 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.24 123.75 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -86.75 152.97 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.516 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 8.4 t -133.68 131.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 71.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 30' ' ' GLU . 12.9 mmtt -55.83 -71.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.38 -59.02 4.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -165.93 34.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -147.24 153.56 44.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.19 10.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 25' ' ' VAL . 12.5 tp -77.11 -53.97 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.32 59.67 3.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.595 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.4 pt -141.01 139.57 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -93.41 143.41 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.7 pp -136.26 146.84 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 47' ' ' SER . 3.1 m -124.56 149.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -101.1 147.06 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -107.07 142.52 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -132.98 137.77 46.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.88 133.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.493 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 0.5 OUTLIER -106.46 -20.77 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 169.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.12 119.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -57.07 135.08 56.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.43 129.2 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.71 -23.67 31.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 p -70.31 166.18 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.516 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 39.2 mm -40.75 -55.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.595 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -40.63 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -40.45 -42.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.35 -42.65 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.54 -37.84 82.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.26 44.25 2.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.75 148.69 21.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.78 172.83 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 7.2 t80 -82.84 155.69 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.566 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.0 -10.29 60.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.37 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -74.98 125.34 28.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.1 116.19 23.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.4 mt -87.54 -51.7 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -138.34 153.09 48.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CD2' HG22 ' A' ' 85' ' ' ILE . 60.4 t80 -126.62 96.13 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.37 11.11 8.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.09 -27.49 5.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 73' ' ' ASN . 1.8 mt -60.58 141.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' N ' HG23 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -84.69 100.22 11.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.04 -24.51 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -45.49 -27.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -129.8 62.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.98 155.12 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 p -97.09 147.4 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -41.28 8.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.33 -39.65 94.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.34 -47.77 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -50.76 -56.08 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -50.83 -27.17 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.47 -56.1 3.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 69' ' ' PHE . 62.3 mt -48.19 -41.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.545 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.4 pt -79.86 -35.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.18 35.95 3.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 3.3 mt-30 -98.22 -173.91 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.508 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 1.8 pm0 -103.55 143.48 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.49 107.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.01 -46.9 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.8 m -132.07 127.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.513 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -139.04 146.39 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 m -106.87 157.55 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.4 mt -132.52 140.36 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 22' ' ' HIS . 20.8 tp -111.3 83.22 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.69 175.86 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -169.45 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -37.52 127.29 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -134.47 118.7 13.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 17' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.81 105.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -40.92 155.76 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.71 14.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 12.2 ptm180 -110.38 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -126.28 96.18 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -87.95 123.26 40.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -90.5 152.83 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.542 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 15.7 t -134.53 132.66 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -106.3 70.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -49.62 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.49 59.89 3.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -145.53 159.39 48.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 34' ' ' ILE . 21.3 tp -105.42 -46.94 4.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.65 66.0 2.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.35 143.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 t -99.49 145.18 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -134.24 157.98 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -149.11 148.54 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -101.26 146.66 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 20.6 mm -118.13 133.45 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.35 144.71 48.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.89 123.0 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.507 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -95.4 -11.14 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.67 173.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' ' C ' ' A' ' 50' ' ' THR . 1.4 p -146.73 60.47 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.522 ' C ' ' O ' ' A' ' 49' ' ' VAL . 6.2 m 28.13 -139.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 50' ' ' THR . 13.4 t -161.1 116.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 73.24 4.9 65.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -79.94 166.02 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.542 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 37.3 mm -36.77 -58.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.586 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -46.55 -59.39 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.404 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 16.4 t-80 -47.15 -42.99 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -68.28 -30.99 70.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.02 47.99 1.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.11 -176.58 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.73 162.68 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.507 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 4.8 t80 -76.7 149.01 36.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.481 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.41 -11.49 67.8 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 105.65 7.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.97 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.0 mt -90.98 96.08 10.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.65 -57.62 8.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.14 148.12 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.642 ' CE1' HG13 ' A' ' 93' ' ' ILE . 49.0 t80 -109.1 99.45 8.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.585 ' ND2' ' CD1' ' A' ' 69' ' ' PHE . 15.7 p30 44.74 26.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 69' ' ' PHE . . . 97.56 55.66 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.523 HG21 ' CD1' ' A' ' 85' ' ' ILE . 1.4 mt -146.17 107.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.59 121.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 69' ' ' PHE . 18.0 mt -118.53 -42.37 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -45.49 -26.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 m -123.7 36.48 4.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.53 164.03 12.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.4 p -107.74 147.64 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -43.59 -42.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HG3' ' NE2' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -60.72 -40.86 93.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.56 -52.36 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.02 -58.27 4.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 8.4 mtt85 -48.97 -27.96 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.2 -51.95 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.53 HG21 ' CD1' ' A' ' 69' ' ' PHE . 65.9 mt -55.3 -42.83 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.551 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.6 pt -75.04 -32.05 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 36.02 3.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.95 -172.38 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.421 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -114.8 118.66 34.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -167.57 105.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.293 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . 87.7 m-20 -39.28 -43.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.8 m -135.95 112.16 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.642 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -118.45 144.26 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -109.09 157.5 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.7 mt -133.04 147.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' CD1' ' O ' ' A' ' 21' ' ' ARG . 48.9 tp -117.04 85.17 2.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.04 172.18 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 34.7 tt0 -169.54 80.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 52.6 t80 -36.67 136.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -132.94 116.13 14.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 23.8 mp0 -75.05 102.37 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -36.22 153.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.465 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.79 152.21 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.569 ' N ' ' HD1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -102.35 98.66 8.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' ILE . 97.7 t -84.84 128.31 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.77 162.83 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 20.6 t -137.83 141.72 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.32 70.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 1.6 mptt -62.58 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.79 -59.12 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.69 35.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CG ' HD11 ' A' ' 54' ' ' ILE . 1.2 pm0 -147.04 158.71 44.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.52 18.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 34' ' ' ILE . 19.7 tp -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 34' ' ' ILE . . . 87.97 61.77 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.608 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -155.46 155.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 t -104.84 141.56 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.2 pp -133.91 152.94 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -136.78 150.19 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -98.38 145.99 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 8.7 mm -122.79 144.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -140.88 132.25 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 68.8 t -56.88 133.9 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -107.25 -18.23 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.15 157.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.8 154.2 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.4 m -104.75 119.38 38.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.6 t -69.07 133.46 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.89 45.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.03 160.89 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.591 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 45.7 mm -37.73 -62.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.56 -68.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ALA . 48.8 t-80 -38.57 -50.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.34 -46.76 82.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -31.96 69.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.27 36.84 4.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -82.44 175.53 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.94 175.16 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.3 t80 -84.49 151.34 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.513 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.06 -5.93 81.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.79 114.53 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.65 113.7 16.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.96 127.3 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -95.85 -57.85 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 72' ' ' ILE . 36.2 mt-10 -133.19 177.99 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.566 ' CD1' HG23 ' A' ' 85' ' ' ILE . 49.1 t80 -152.29 98.03 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.428 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.5 m-20 58.63 17.92 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.69 -30.56 4.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 73' ' ' ASN . 1.8 mt -62.29 158.39 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.415 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 1.9 t-20 -108.7 103.76 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.26 -23.03 30.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -20.02 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ALA . 4.3 m -119.06 -36.67 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -42.86 164.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -101.75 -167.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 4.6 pt-20 -83.45 -37.76 22.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.51 72.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -36.96 55.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 36' ' ' ILE . . . -67.78 -41.77 82.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -65.04 -11.64 41.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.28 -54.65 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 69' ' ' PHE . 15.7 mt -47.16 -47.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -69.44 -32.65 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 37.11 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.45 -173.82 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -103.42 146.96 27.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.84 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.263 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -48.09 -44.42 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.1 m -134.61 116.73 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.448 HD12 ' CG1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -125.65 141.03 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.2 m -97.54 152.54 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.448 ' CG1' HD12 ' A' ' 93' ' ' ILE . 89.2 mt -136.88 144.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -114.16 105.51 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.22 173.69 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -165.37 77.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.09 127.64 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -124.55 114.68 27.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.1 mt-10 -47.2 107.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 21.1 mt-10 -38.52 156.39 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -94.52 171.44 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -117.26 88.48 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 95' ' ' ILE . 54.1 t -73.01 121.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.42 160.31 18.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.571 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 3.0 t -140.82 146.31 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -124.2 54.66 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' GLN . 12.0 mttt -38.74 -66.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.16 -60.01 4.26 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -165.42 36.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -148.61 150.14 32.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.33 42.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.99 -62.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.84 56.91 2.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.531 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pp -143.78 132.95 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.59 148.89 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.3 pp -137.72 151.15 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.2 149.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -101.97 146.02 28.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 14.8 mm -116.3 139.83 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 52.2 m-85 -132.32 144.02 50.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 61.6 t -66.36 127.27 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.66 -24.75 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.73 175.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG12 ' CG2' ' A' ' 34' ' ' ILE . 1.5 t -115.38 -165.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 51' ' ' VAL . 1.2 m -119.0 -7.88 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' THR . 40.5 t 61.96 137.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.04 32.08 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -118.45 166.49 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.571 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 47.5 mm -37.72 -58.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.531 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -45.04 -64.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.4 t-80 -39.32 -46.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -61.25 -46.25 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.22 -17.16 51.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.53 6.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.0 mt -100.64 144.15 29.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.31 171.34 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 12.6 t80 -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.506 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.79 -31.81 4.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.34 101.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 8.4 tt0 -72.72 117.98 15.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.8 mt -72.69 106.63 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.3 mt -80.99 -50.92 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -149.43 137.69 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 42.4 t80 -108.64 104.81 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.35 17.55 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 -45.15 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 73' ' ' ASN . 2.2 mt -41.64 152.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' N ' HG22 ' A' ' 72' ' ' ILE . 2.4 t-20 -101.53 113.27 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 66' ' ' LEU . 3.9 mm? -80.44 -40.44 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.73 -36.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -112.69 48.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -130.09 -177.31 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.744 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 51.2 p -135.36 178.42 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.4 pt-20 -68.16 -36.7 80.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 17.7 pt20 -68.69 -41.06 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.744 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.2 OUTLIER -71.26 -53.87 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.93 -55.67 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -53.02 -26.26 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' GLN . 16.7 mt -86.6 -38.86 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.507 ' O ' ' CG ' ' A' ' 88' ' ' GLN . 67.5 mt -65.57 -64.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.575 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -54.44 -22.07 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 12.69 69.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.6 mm-40 -61.77 -174.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.4 ' O ' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.52 117.2 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.2 m -175.4 118.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -45.93 -52.59 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 4.0 m -125.66 112.92 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -122.48 147.61 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.1 m -102.27 162.9 12.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' VAL . 4.5 mt -141.01 142.83 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.4 tp -112.07 88.29 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.02 174.58 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -168.07 83.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -38.15 143.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -134.35 109.93 11.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLU . 4.6 mt-10 -43.52 107.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.2 mp0 -38.39 156.8 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.66 20.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -118.8 169.56 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.404 ' HD1' ' N ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -116.94 116.46 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.65 118.73 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.01 157.1 28.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.531 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.1 t -134.33 134.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -108.76 68.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.47 7.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 50.08 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.777 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 6.6 mm-40 -147.19 162.32 33.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.79 12.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.09 -45.95 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 67.65 65.02 2.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.591 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.2 pt -143.74 155.22 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.39 146.04 41.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -138.49 153.67 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.3 m -140.98 149.08 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -99.84 146.62 26.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CD1' ' O ' ' A' ' 78' ' ' THR . 18.6 mm -129.14 135.82 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 24.4 m-85 -127.36 133.09 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.84 129.11 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.567 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -102.47 -11.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.003 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 174.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.95 100.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' GLY . 26.4 m -42.09 150.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.423 ' N ' HG21 ' A' ' 50' ' ' THR . 3.2 p -98.5 138.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.79 -20.34 28.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -76.68 163.63 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.531 HG22 ' CG1' ' A' ' 25' ' ' VAL . 32.0 mm -40.11 -57.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.49 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.415 ' NE2' HG22 ' A' ' 51' ' ' VAL . 8.4 t-80 -38.94 -51.41 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.96 -45.5 78.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.12 -34.41 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.9 43.26 2.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.2 mt -86.33 150.54 24.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.9 166.56 25.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 11.0 t80 -77.73 154.47 32.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.533 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.38 -21.4 25.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 98.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.4 tt0 -65.8 121.5 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CB ' HD13 ' A' ' 74' ' ' LEU . 13.3 mt -79.41 128.26 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 65' ' ' GLN . 94.5 mt -101.12 -60.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -132.43 144.73 50.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CD1' HG22 ' A' ' 85' ' ' ILE . 18.2 t80 -118.95 110.39 17.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 49.13 23.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.38 -33.78 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.434 HG23 ' CD1' ' A' ' 85' ' ' ILE . 1.8 mt -58.74 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -73.2 93.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 12.9 mt -57.96 -40.31 80.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -40.83 128.25 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 1.3 t 88.63 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -48.85 175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.716 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 43.1 p -115.03 -161.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -87.93 -38.8 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.9 -40.09 94.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.716 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.5 OUTLIER -71.05 -41.06 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.34 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.08 88.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -65.92 -9.87 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.8 -55.1 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.565 HG22 ' CD1' ' A' ' 69' ' ' PHE . 18.8 mt -49.27 -47.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.442 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.9 pt -68.89 -33.39 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.23 40.87 2.92 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -105.91 -173.38 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -107.77 146.61 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.287 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.83 107.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.338 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -40.85 -48.15 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.3 m -133.03 123.78 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.545 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -129.19 146.48 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.421 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.7 m -103.05 158.98 15.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.3 mt -139.01 139.74 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.9 tp -114.6 88.78 2.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.45 167.42 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' TYR . 39.0 tt0 -151.61 87.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLN . 27.7 t80 -37.07 111.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.68 111.7 35.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 4.0 mm-40 -51.24 108.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.4 pm0 -38.27 151.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 137.56 22.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -118.2 172.55 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -119.02 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.61 117.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.38 145.85 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' A' ' 54' ' ' ILE . 3.9 t -127.0 130.58 71.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -109.86 68.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' CD ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.48 -85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.98 -62.74 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -167.76 34.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -138.08 159.14 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.83 30.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' HB ' ' A' ' 86' ' ' ILE . 14.2 tp -71.7 -57.28 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' O ' ' CG2' ' A' ' 34' ' ' ILE . . . 84.71 63.51 1.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.495 HG21 ' CB ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -156.17 151.65 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.0 t -101.07 143.34 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -136.37 144.21 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -130.89 148.63 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -101.59 146.08 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.2 mm -118.42 137.59 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -130.92 135.06 47.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 28.9 t -62.95 128.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.499 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.95 -22.15 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 161.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 50' ' ' THR . 1.4 t -123.99 157.28 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 97.1 m -99.22 165.57 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 t -102.07 146.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.35 34.16 17.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ILE . 84.6 p -114.62 157.04 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.527 HG23 ' CG1' ' A' ' 25' ' ' VAL . 31.2 mm -39.17 -54.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -51.25 -59.85 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -42.58 -34.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.13 -39.77 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.55 -17.05 53.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.32 38.24 18.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.9 162.17 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.89 169.22 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -75.46 152.9 37.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.582 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.42 -15.41 50.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.99 99.89 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.99 112.05 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.15 117.06 12.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.37 -62.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' LEU . 27.9 mt-10 -139.74 138.42 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' HG22 ' A' ' 85' ' ' ILE . 11.6 t80 -107.98 111.2 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 93' ' ' ILE . 5.5 t-20 47.35 25.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.71 -35.36 4.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 HD13 ' CG2' ' A' ' 85' ' ' ILE . 2.8 mt -54.96 130.92 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.16 90.15 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.81 -33.89 76.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.69 -29.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 49.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.2 158.24 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -100.02 157.3 16.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -52.56 -38.65 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.2 -34.75 78.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.11 -38.98 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.05 95.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -70.54 -6.87 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.39 -55.22 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.572 HG22 ' CD1' ' A' ' 69' ' ' PHE . 22.9 mt -47.5 -43.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.451 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 5.6 pt -70.55 -30.98 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -91.69 29.11 7.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -99.65 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.365 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -82.96 -162.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 5.1 t 100.35 87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.46 -35.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m -140.55 102.51 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.568 ' CD1' ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -116.02 145.36 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.422 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.7 m -103.09 157.64 16.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 69' ' ' PHE . 45.4 mt -132.27 146.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' GLU . 64.8 tp -112.42 99.4 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.17 160.83 15.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 31.9 tt0 -152.61 92.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -43.54 119.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.62 111.02 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -72.51 105.76 4.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -32.49 152.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 122.51 7.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.91 178.71 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -129.93 81.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.561 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.98 119.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 152.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 54' ' ' ILE . 9.6 t -132.74 132.88 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.25 74.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 3.0 mmtt -59.63 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.15 -52.06 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -177.98 36.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.36 155.72 60.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.5 tp -79.45 -54.89 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.72 64.39 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.592 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -151.34 143.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 5.8 t -91.16 142.73 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.6 pp -139.0 150.54 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.5 m -134.52 149.54 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -97.78 148.36 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 12.0 mm -124.15 135.87 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 0.723 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 31.2 m-85 -127.47 138.48 52.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 91.0 t -63.29 131.39 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.475 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -109.84 -16.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.026 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -178.91 164.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 50' ' ' THR . 1.3 t -135.43 155.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.43 ' N ' HG13 ' A' ' 49' ' ' VAL . 93.7 m -104.0 121.12 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.91 130.93 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -22.32 19.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 p -68.25 160.08 29.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.747 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.515 HG22 ' CG1' ' A' ' 25' ' ' VAL . 37.8 mm -40.54 -56.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -40.6 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ALA . 32.9 t-80 -38.51 -49.14 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.564 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -53.49 -48.24 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -62.24 -36.38 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 51.55 1.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.0 158.65 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -143.63 158.79 43.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.4 t80 -79.25 156.7 28.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.604 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 89.21 -33.11 4.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -58.91 145.53 41.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.0 tt0 -105.8 133.25 50.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' CB ' HD13 ' A' ' 74' ' ' LEU . 16.5 mt -99.3 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.508 ' CD1' HD11 ' A' ' 96' ' ' LEU . 11.0 mt -88.18 -44.2 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -139.62 168.21 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.573 ' CE1' HG13 ' A' ' 93' ' ' ILE . 39.4 t80 -143.08 101.68 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.6 t-20 59.45 16.71 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.01 -26.16 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.433 HD11 ' CG2' ' A' ' 85' ' ' ILE . 2.0 mt -58.07 157.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.75 97.52 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.1 mt -77.33 -41.6 39.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -124.68 52.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -131.97 163.42 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.408 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 14.6 p -108.51 155.47 20.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -47.16 -37.3 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.5 -56.42 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.3 OUTLIER -57.31 -45.35 84.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.419 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -58.01 -44.55 87.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -63.9 -11.96 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.44 -54.53 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 69' ' ' PHE . 15.7 mt -47.23 -48.34 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.7 pt -70.28 -30.88 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 36.84 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 3.3 mt-30 -105.83 -174.36 2.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.495 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 1.9 pm0 -102.22 148.24 25.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.79 106.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.39 -46.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.4 m -134.99 122.01 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -131.03 144.89 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -105.26 170.48 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 96' ' ' LEU . 79.3 mt -145.54 140.31 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.526 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.2 tm? -105.31 116.41 31.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.77 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 99' ' ' TYR . 33.1 tt0 -140.88 48.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 2.7 t80 35.05 -156.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 5.1 p-10 159.68 79.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.88 107.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.14 151.27 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.73 11.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 4.5 ptp85 -105.57 168.31 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -117.44 106.39 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.7 t -100.55 116.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.72 158.79 31.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.558 ' CG1' HG23 ' A' ' 54' ' ' ILE . 33.0 t -133.93 136.47 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -111.44 71.65 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -62.79 -84.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 54.65 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.69 43.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.0 mp0 -144.31 157.38 56.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -86.74 -55.91 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.03 62.94 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -153.67 148.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 3.7 t -98.54 141.96 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 82' ' ' ALA . 2.2 pp -132.41 155.49 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 5.3 m -142.24 153.6 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -112.27 147.34 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 19.2 mm -123.16 137.73 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 70.5 m-85 -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 50.3 t -59.53 130.98 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.485 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -103.26 -20.64 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -178.22 166.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 50' ' ' THR . 1.4 t -134.37 153.97 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' HG12 ' A' ' 49' ' ' VAL . 98.6 m -99.5 150.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 4.3 p -94.01 144.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.04 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 159.25 15.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.558 HG23 ' CG1' ' A' ' 25' ' ' VAL . 39.1 mm -40.76 -64.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.543 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.28 -63.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 3.1 t-80 -39.44 -51.36 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -61.32 -42.19 98.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.07 -29.55 67.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.1 46.02 3.7 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.44 168.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.36 165.04 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.9 t80 -83.16 156.85 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.63 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.29 -6.2 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.96 102.16 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -53.75 130.01 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.3 mt -89.1 107.04 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.617 ' CD1' ' CD1' ' A' ' 96' ' ' LEU . 17.6 mt -77.09 -74.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -132.31 155.72 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.573 ' CD1' HG22 ' A' ' 85' ' ' ILE . 43.3 t80 -124.87 104.54 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.53 13.58 7.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.14 19.29 63.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.445 HG22 ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -80.97 6.99 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 53.68 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' A' ' 77' ' ' ALA . 3.4 mt -93.02 -21.9 19.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -45.46 -25.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' LEU . 29.1 t -126.74 60.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -139.79 161.35 37.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.487 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 41.1 p -102.42 179.28 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.0 pt-20 -70.0 -37.33 75.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.08 -39.97 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.487 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -71.61 -52.05 20.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 36' ' ' ILE . . . -46.35 -57.3 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -48.08 -31.92 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' GLY . 21.6 mt -82.61 -57.72 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.573 HG22 ' CD1' ' A' ' 69' ' ' PHE . 58.4 mt -43.21 -57.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.6 pt -62.31 -30.17 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -87.94 36.67 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.82 -174.12 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -115.85 118.11 32.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.3 m -168.9 116.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -46.27 -52.52 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.3 m -130.28 127.2 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.86 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.9 m -98.18 155.33 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.8 mt -136.99 148.13 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.617 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 3.2 tm? -116.94 114.72 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.45 177.53 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 45.9 tt0 -173.68 79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 24.0 t80 -37.17 130.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -115.09 109.14 47.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.97 101.96 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.71 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.64 29.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -122.86 166.58 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.82 105.28 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.2 t -97.59 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 160.09 15.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' ' CG2' ' A' ' 92' ' ' THR . 13.5 t -136.35 148.74 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -127.49 53.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -37.46 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.59 55.94 3.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.07 42.08 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.9 mt-10 -142.63 156.66 63.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.88 30.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 34' ' ' ILE . 21.9 tp -85.62 -34.89 21.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.25 68.26 1.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.609 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -151.16 152.66 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -109.25 141.39 41.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 66' ' ' LEU . 2.4 pp -133.83 151.15 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -138.97 148.71 23.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -100.64 146.23 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 mm -101.77 139.69 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 70.4 m-85 -132.41 141.1 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.07 127.9 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.499 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -98.62 -22.28 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tttt 179.74 172.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.75 140.52 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 m -102.58 157.68 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -90.26 158.18 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 55.53 17.48 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.573 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 1.1 m -104.95 12.23 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.573 ' HB ' ' O ' ' A' ' 53' ' ' SER . 5.8 mm 85.96 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -51.14 -66.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -45.87 -49.79 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.55 -39.46 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.21 -29.49 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 55.22 1.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.47 143.72 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.91 172.77 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 8.4 t80 -84.48 155.75 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.972 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.572 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.95 -13.18 57.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.16 115.04 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 tt0 -69.15 125.54 26.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 36' ' ' ILE . 90.1 mt -79.78 91.23 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.617 ' CD1' ' CD1' ' A' ' 96' ' ' LEU . 30.1 mt -57.86 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 5.1 mt-10 -126.26 169.06 13.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 53.8 t80 -131.74 99.68 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.419 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.8 t-20 63.92 14.32 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 68' ' ' GLU . . . 118.71 -16.67 11.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.61 134.54 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.353 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -83.21 106.62 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.13 -21.8 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -52.82 -24.89 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.2 m -122.02 44.76 2.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.2 -170.94 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.729 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 35.5 p -127.41 -171.43 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.5 pt-20 -80.53 -37.25 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.411 ' NE2' ' OE1' ' A' ' 81' ' ' GLN . 9.0 pt20 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.729 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -75.97 -46.32 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.39 -55.4 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -55.94 -23.87 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.18 -40.51 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 88' ' ' GLN . 80.1 mt -67.65 -47.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.57 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 4.9 pt -67.58 -21.57 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.92 12.15 70.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 24.9 mm-40 -56.77 178.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -112.63 133.05 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 165.89 112.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.299 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -43.22 -49.43 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.4 m -127.04 121.8 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.503 ' CD1' ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.43 153.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.9 m -109.52 159.28 17.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 mt -137.16 153.9 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.617 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 3.2 tm? -118.13 116.39 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.39 177.76 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -174.27 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -39.9 125.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -123.85 106.82 31.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.3 mt-10 -79.54 101.42 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -36.98 154.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.31 12.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 1.9 ptm85 -106.69 174.99 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CE1' HD11 ' A' ' 96' ' ' LEU . 9.5 m80 -123.42 91.82 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 39.0 t -77.68 114.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.56 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 5.0 t -134.0 152.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -131.01 51.51 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 1.2 mtpt -40.1 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.76 -99.37 2.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.98 28.65 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -147.03 154.84 47.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.53 9.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 34' ' ' ILE . 33.8 tp -79.0 -50.03 11.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.59 68.25 1.54 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 HG12 ' CD2' ' A' ' 32' ' ' LEU . 1.2 pt -149.33 159.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -115.86 142.74 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.2 pp -134.83 151.1 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -137.93 149.42 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -98.98 146.13 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.7 mm -113.87 139.1 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 75.2 m-85 -131.02 143.57 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 51.3 t -68.0 127.26 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.497 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.89 -26.34 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.58 168.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.26 125.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.7 m -57.12 157.26 6.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.515 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.8 t -99.52 127.58 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 87.53 -12.19 63.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ILE . 94.8 p -72.39 160.31 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.56 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 33.8 mm -37.66 -54.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -47.72 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 1.8 t-80 -39.15 -45.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.54 -46.52 87.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.7 -40.59 92.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 49.56 0.86 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.28 136.19 34.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.57 169.86 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.8 t80 -81.48 151.07 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.547 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.87 -16.85 49.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 91.11 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -58.31 126.61 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mt -88.18 105.82 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.21 -54.49 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 142.11 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.647 ' CE1' HG13 ' A' ' 93' ' ' ILE . 50.7 t80 -108.66 104.54 13.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 69' ' ' PHE . 17.8 p30 40.49 29.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PHE . . . 97.1 62.61 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.489 HG22 ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -147.54 148.56 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -82.79 118.36 23.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 76' ' ' SER . 66.5 mt -117.22 -39.11 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -43.0 -27.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -137.53 56.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.04 171.98 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.2 p -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -41.49 -36.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.4 -45.53 83.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -59.66 -54.1 50.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.18 -58.7 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 30.4 mtp180 -48.26 -23.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -91.23 -54.22 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.553 ' O ' ' CE1' ' A' ' 69' ' ' PHE . 71.5 mt -56.23 -29.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -89.77 -34.39 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.29 2.92 80.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.07 -173.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -92.0 -106.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' GLN . 6.6 m 52.56 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -46.78 -44.45 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 5.3 m -123.23 109.57 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.647 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -120.26 146.04 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -111.63 158.62 19.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' VAL . 16.0 mt -134.14 141.54 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 22' ' ' HIS . 26.6 tp -113.41 83.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 174.65 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' TYR . 42.4 tt0 -165.28 83.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLN . 10.9 t80 -36.34 131.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -125.34 112.85 25.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -168.05 154.71 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -140.64 -59.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.09 148.04 6.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.31 160.31 6.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.773 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 p -135.43 165.66 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 159.7 27.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.56 -162.07 9.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -161.71 109.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.77 120.18 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 170.23 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -82.12 72.17 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.3 145.84 49.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -50.1 148.73 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 -19.32 18.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER 68.17 -63.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' PRO . 7.4 p -146.07 146.6 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.83 107.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 2.4 mt-10 -40.8 159.13 0.16 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 150.18 37.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 19' ' ' GLU . 2.4 ptp180 -126.58 163.35 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 96' ' ' LEU . 2.0 m80 -118.52 101.56 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.2 t -92.71 121.87 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -82.25 148.93 28.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.5 ' CG1' HG21 ' A' ' 54' ' ' ILE . 7.8 t -131.0 130.82 64.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.59 71.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 1.4 mmtt -54.45 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . 77.98 42.9 15.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 79.12 41.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.733 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -144.7 158.07 54.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.77 15.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD2' HG12 ' A' ' 34' ' ' ILE . 22.1 tp -87.36 -50.2 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.7 69.47 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.562 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -152.35 148.73 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -101.3 142.78 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 HD13 ' CB ' ' A' ' 82' ' ' ALA . 2.2 pp -134.97 150.2 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -136.15 149.19 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -100.25 147.0 26.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.83 149.37 16.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.38 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.36 -136.08 3.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.19 -148.23 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.2 mm -100.88 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -132.59 140.28 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 50.7 t -68.22 126.08 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.557 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -100.24 -20.02 16.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -175.22 165.72 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 34' ' ' ILE . 3.2 p -150.3 100.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -44.83 131.05 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 49.3 t -84.6 129.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 98.93 -8.85 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' ILE . 3.9 m -89.55 166.86 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.5 HG21 ' CG1' ' A' ' 25' ' ' VAL . 46.3 mm -38.5 -62.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.84 -67.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.493 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 6.1 t-80 -37.51 -57.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.47 -47.13 38.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -39.06 82.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.77 48.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.3 mt -96.21 146.95 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -135.7 169.86 16.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 6.3 t80 -74.13 151.47 40.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.517 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 92.05 -30.14 6.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.69 104.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.37 121.46 18.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.15 111.38 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -81.79 -56.28 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.67 142.74 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.614 ' CD2' ' CG2' ' A' ' 85' ' ' ILE . 44.6 t80 -112.23 100.55 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 62.9 13.62 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.23 -45.1 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 73' ' ' ASN . 1.6 mt -44.84 158.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 7.7 t-20 -106.05 106.81 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 4.3 mm? -74.55 -27.36 60.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.36 -26.68 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.38 -27.8 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -56.71 135.23 55.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -87.42 170.85 11.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.92 -38.41 78.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 19.5 pt20 -69.7 -36.24 75.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 80' ' ' GLN . 37.3 mt-30 -77.24 -47.57 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.466 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -56.4 -41.77 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.97 -17.27 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -99.43 -54.92 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.614 ' CG2' ' CD2' ' A' ' 69' ' ' PHE . 14.5 mt -44.09 -47.94 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.555 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.1 pt -70.93 -32.7 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -90.48 41.7 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.89 -174.36 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.433 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -117.44 95.55 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.02 113.19 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -41.45 -52.73 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.8 m -127.68 123.79 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.28 147.34 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.3 m -108.51 165.18 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.7 143.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 22' ' ' HIS . 31.1 tp -112.22 90.19 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.62 175.4 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' TYR . 47.4 tt0 -171.37 80.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 60.1 t80 -36.92 131.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -127.6 115.94 21.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.6 3.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -159.46 55.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.639 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.0 p -164.61 63.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -111.42 82.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -129.92 171.36 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.4 149.85 13.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -157.33 158.85 36.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.75 151.51 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 171.18 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.614 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -80.87 153.53 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -77.79 111.73 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.85 163.59 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.86 -145.68 7.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.64 5.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -110.44 172.59 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m 48.2 81.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.043 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.09 93.89 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.61 169.94 17.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.68 -112.17 3.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.56 132.38 17.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -115.62 165.32 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.03 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.5 101.91 2.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.16 122.2 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -157.13 172.02 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.59 129.76 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.61 -61.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -175.48 166.44 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.67 119.95 57.17 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.05 -16.69 19.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 15' ' ' PRO . 33.1 p90 -160.64 -42.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.489 HG13 ' CD2' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -173.05 155.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 2.0 mt-10 -49.87 107.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -39.21 153.27 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 145.63 31.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -125.4 171.69 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -120.74 102.17 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -89.73 120.84 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -82.88 150.97 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.554 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 22.7 t -131.38 134.13 61.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 67.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.69 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 -65.45 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -168.31 35.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.48 158.82 74.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.62 36.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 34' ' ' ILE . 11.2 tp -71.94 -60.38 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 59.41 2.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.098 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pp -145.41 142.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -99.67 144.26 28.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.47 154.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.54 148.44 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -102.32 147.02 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.39 15.97 60.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 73.55 -66.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.774 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.68 79.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.08 153.48 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.75 150.83 17.83 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 mm -123.54 136.0 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD2' HG21 ' A' ' 103' ' ' VAL . 85.1 m-85 -130.87 135.67 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.95 124.99 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -94.2 -22.73 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' NZ ' ' O ' ' A' ' 47' ' ' SER . 0.8 OUTLIER -177.19 169.58 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 34' ' ' ILE . 2.4 p -150.58 118.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.6 m -53.39 169.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.6 p -110.29 144.72 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.53 14.44 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ILE . 1.1 m -102.9 161.96 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.554 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 47.6 mm -38.55 -65.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.7 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.473 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 32.7 t-80 -41.28 -46.73 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.61 -42.64 97.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.86 -35.22 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 45.8 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.0 173.86 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.46 174.81 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.1 t80 -85.13 148.28 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 91.02 -18.39 51.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.84 105.63 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -72.62 125.95 28.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.59 107.41 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 mt -80.56 -48.03 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -151.91 133.24 14.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 41.0 t80 -104.28 105.06 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.407 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 58.67 17.03 4.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.4 -44.39 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 85' ' ' ILE . 1.9 mt -40.41 145.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 72' ' ' ILE . 7.8 t-20 -92.41 100.66 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 2.9 mm? -69.36 -46.85 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 22.5 mtt180 -39.65 111.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 85.29 33.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -105.35 154.34 20.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 p -98.65 147.92 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.45 -40.98 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' NE2' ' HG3' ' A' ' 81' ' ' GLN . 1.3 pp0? -64.92 -32.84 74.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' THR . 11.8 mt-30 -72.19 -50.26 29.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.74 -56.59 16.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -49.8 -22.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.5 mt -90.43 -52.43 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 72' ' ' ILE . 77.5 mt -55.1 -51.41 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.575 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.5 pt -68.72 -39.52 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.2 42.83 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.443 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 2.8 mt-30 -102.99 -173.06 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -106.49 144.19 33.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.06 112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.332 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -46.53 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -130.79 124.29 31.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.505 HD11 ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -135.06 148.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.0 m -107.12 168.37 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.44 138.14 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 tp -108.4 88.62 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.84 176.53 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 41.0 tt0 -175.35 82.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -37.54 142.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -140.03 115.24 7.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 54.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.53 51.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.473 HG21 ' CD2' ' A' ' 45' ' ' TYR . 1.4 p -158.52 71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.99 -72.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.534 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.02 91.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.04 -67.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.35 165.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.56 88.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.7 66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.4 m -118.21 -59.56 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.35 168.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.7 p -102.72 111.61 24.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.8 113.98 3.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 144.59 30.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.49 -57.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -55.7 -58.43 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -92.02 109.5 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -152.26 160.05 43.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.02 88.14 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -178.15 115.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.47 166.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.053 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.19 128.91 2.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.27 158.11 18.32 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -157.4 103.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -141.75 131.09 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -131.8 112.45 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 156.16 16.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.47 116.34 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -147.89 148.48 30.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.04 -20.47 16.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' PRO . 33.5 m-85 56.84 150.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 HG21 ' CD ' ' A' ' 101' ' ' PRO . 8.3 p -151.8 159.82 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -47.58 109.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 156.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.572 1.828 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -103.4 160.03 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CE1' ' CD1' ' A' ' 96' ' ' LEU . 1.8 m80 -116.31 110.01 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.84 126.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -85.96 150.75 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 12.8 t -133.07 132.41 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.83 73.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 30' ' ' GLU . 12.6 mmtt -55.83 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 -61.8 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 p -163.74 32.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 1.6 mm-40 -146.27 158.04 48.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.1 -54.35 8.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.44 62.96 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.76 143.34 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -93.06 146.49 23.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.8 pp -135.63 159.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -145.35 149.18 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -100.83 149.31 23.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.07 -174.21 14.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 70.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttt 62.75 44.79 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.35 -0.15 16.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.58 -169.12 25.68 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 14.3 mm -98.1 138.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 89.8 m-85 -127.34 138.45 53.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 44.3 t -65.38 127.92 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -99.67 -24.08 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CB ' HG22 ' A' ' 34' ' ' ILE . 1.4 p -143.79 125.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -63.5 125.24 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -75.39 125.21 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.87 -5.02 68.9 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -86.81 164.04 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.533 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 42.0 mm -38.14 -63.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -39.38 -65.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 t-80 -37.69 -52.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -55.09 -47.1 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.46 -43.37 93.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.06 49.47 0.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.73 152.58 20.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.57 172.0 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -83.59 153.54 24.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.576 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.85 -12.66 56.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.31 87.66 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.2 tt0 -54.53 119.01 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.03 113.45 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 HD11 ' CB ' ' A' ' 98' ' ' GLN . 66.8 mt -83.73 -53.48 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -143.53 144.17 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.584 ' CD2' ' CG2' ' A' ' 85' ' ' ILE . 49.7 t80 -116.89 91.35 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.417 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.3 t-20 69.48 8.86 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.96 -43.99 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.27 123.95 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -73.93 114.89 12.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 4.0 mm? -77.75 -28.46 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -55.17 -33.82 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -12.49 19.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -74.43 158.82 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.456 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -107.78 -171.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.406 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.76 -35.97 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -75.84 -44.19 42.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.456 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.1 OUTLIER -66.57 -44.11 83.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.07 79.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 36' ' ' ILE . 31.4 mtp85 -69.31 -13.87 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.1 -54.7 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.584 ' CG2' ' CD2' ' A' ' 69' ' ' PHE . 15.0 mt -45.04 -48.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.9 pt -70.73 -29.65 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -89.47 32.42 4.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -93.08 -174.11 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -111.71 130.34 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.03 109.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -49.22 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 m -130.38 125.09 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.467 ' CD1' ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.31 151.0 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -108.45 165.37 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.5 mt -139.45 140.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.537 ' CD1' ' CE1' ' A' ' 22' ' ' HIS . 51.6 tp -112.03 99.77 8.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.42 170.41 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.461 ' CB ' HD11 ' A' ' 67' ' ' LEU . 54.5 tt0 -164.07 77.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -40.42 134.67 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -126.88 114.13 22.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' CD ' HG21 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.06 54.56 3.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.39 60.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.7 t -150.56 129.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -175.41 81.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.89 174.84 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.515 HD22 ' CE1' ' A' ' 109' ' ' HIS . 2.2 mt 58.46 168.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.36 -61.81 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.7 t -174.11 161.24 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.515 ' CE1' HD22 ' A' ' 106' ' ' LEU . 39.2 p-80 -179.85 90.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.635 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -149.56 161.05 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.99 104.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.6 m -82.12 163.97 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.33 88.98 0.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.71 2.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 155.08 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.77 159.49 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -165.34 156.55 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.12 166.76 28.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.25 177.52 19.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -160.58 155.04 23.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -174.09 169.25 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.15 -159.46 8.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.01 106.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.16 138.41 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 109.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -62.48 164.87 6.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 154.02 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.36 163.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.51 143.55 51.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.37 2.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -164.46 -49.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.94 179.73 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.8 mm-40 -78.37 101.33 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.9 mt-10 -38.58 157.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.23 22.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.91 169.84 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 96' ' ' LEU . 6.5 m80 -124.67 82.14 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.637 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.02 130.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -93.19 159.18 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.53 ' CG1' HG21 ' A' ' 54' ' ' ILE . 25.4 t -133.8 133.85 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.63 68.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' CD ' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -54.42 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.96 -68.84 2.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -164.42 39.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.85 162.12 56.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 34' ' ' ILE . 12.1 tp -89.11 -54.02 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.49 62.43 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.3 pt -142.13 145.29 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -107.97 142.1 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.5 pp -134.28 156.23 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 9.6 m -140.39 156.38 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -109.08 146.4 34.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 157.59 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.77 -58.98 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -46.21 84.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.15 -134.42 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.574 1.171 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.51 158.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 17.1 mm -121.02 132.5 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -124.72 138.57 54.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 41.4 t -67.05 124.67 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.498 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 1.4 t -95.12 -24.47 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.86 172.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.26 120.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 51' ' ' VAL . 18.6 m -57.7 149.71 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 4.3 p -93.63 134.81 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.21 -31.67 5.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -60.54 163.31 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.53 HG21 ' CG1' ' A' ' 25' ' ' VAL . 42.9 mm -39.52 -58.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.571 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.65 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 2.9 t-80 -38.82 -58.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -47.41 -44.82 24.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.54 -41.84 97.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 44.5 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 mt -84.08 157.99 21.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.03 167.21 23.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.9 t80 -81.11 154.35 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.18 -5.35 63.36 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 94.11 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -59.84 120.82 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.31 102.25 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.1 mt -75.15 -47.43 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 23.5 mt-10 -148.89 146.09 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CD1' HG22 ' A' ' 85' ' ' ILE . 27.7 t80 -127.27 107.89 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.29 12.83 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.93 4.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' LEU . 1.8 mt -115.38 119.46 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -60.65 -47.26 87.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' SER . 6.3 mtp180 -38.1 116.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 86.04 26.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -100.85 137.58 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.4 p -83.06 141.85 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -40.76 -35.93 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -67.0 -46.9 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -58.99 -54.96 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -49.32 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' ALA . 43.3 mtm180 -38.64 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' ALA . 5.3 mt -86.5 -55.97 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.576 HG22 ' CD1' ' A' ' 69' ' ' PHE . 64.0 mt -52.34 -50.37 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.2 pt -71.27 -40.99 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.05 44.64 3.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -103.16 -173.4 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -106.37 147.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.89 112.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -44.38 -48.79 9.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.0 m -131.44 126.11 34.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.546 HD12 ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -136.35 149.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.4 m -107.83 165.47 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.57 148.16 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.3 tp -120.78 91.5 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.3 177.6 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' TYR . 50.6 tt0 -172.23 77.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -37.27 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -136.24 119.84 12.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.38 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.13 52.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -167.76 114.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -166.86 -61.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.649 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.75 177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.5 OUTLIER 66.73 165.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 108' ' ' SER . 3.6 t 61.85 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.5 OUTLIER 84.55 156.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.34 122.09 44.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 98.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.38 123.65 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.2 p -77.44 154.67 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.58 -78.89 1.12 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 84.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.25 2.63 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.7 m -147.18 149.26 32.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -70.98 164.91 24.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -58.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 128.93 1.73 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.1 -58.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.11 97.0 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.31 -73.61 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.95 -89.97 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.87 148.19 25.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -138.72 147.05 42.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -109.68 86.34 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.31 136.3 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.95 125.46 8.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 62.77 136.26 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -74.98 -20.33 17.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 2.9 t80 68.65 -61.42 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.52 152.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -47.99 108.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.31 159.32 0.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 148.5 35.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -126.67 163.79 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -117.45 103.43 10.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -100.03 120.21 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -81.37 156.61 25.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.55 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 25.4 t -135.05 137.31 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -112.03 72.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HD2' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -59.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.99 -61.14 0.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -170.71 34.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 3.9 mm-40 -138.94 159.21 67.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' CD2' HG12 ' A' ' 34' ' ' ILE . 13.3 tp -67.48 -59.81 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.92 57.23 1.95 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -151.3 145.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -101.09 145.03 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 82' ' ' ALA . 2.7 pp -136.67 154.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 4.3 m -134.05 152.3 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -102.37 146.79 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -109.93 168.97 13.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.21 69.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -178.44 -38.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' ALA . . . 126.1 -0.09 7.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.23 174.82 33.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.4 mm -137.87 135.49 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 51.2 m-85 -137.97 133.25 33.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.32 134.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.05 -20.19 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 162.84 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -127.43 161.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.446 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 93.1 m -107.9 132.65 53.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.85 136.44 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.69 24.55 71.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -106.33 155.44 19.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.55 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 34.5 mm -40.14 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.74 -57.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -43.51 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ILE . 37.0 mt-30 -62.02 -41.88 98.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.84 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.82 41.08 2.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -84.48 -177.24 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.12 166.0 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.8 t80 -75.74 151.41 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.99 -13.85 58.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.56 103.47 5.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 2.8 tt0 -67.65 131.13 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.3 123.57 35.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.59 -57.89 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -142.34 144.86 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' HG22 ' A' ' 85' ' ' ILE . 37.2 t80 -114.92 106.33 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.413 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.1 m-20 56.12 19.12 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.27 -36.66 3.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.426 HD12 ' CG2' ' A' ' 85' ' ' ILE . 1.2 mt -48.44 149.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -98.7 92.69 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.4 mt -75.91 -24.63 55.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -22.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.11 51.12 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . -131.54 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 71.0 p -83.86 -179.69 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.6 pt-20 -74.36 -37.97 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -67.18 -44.91 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.455 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.1 OUTLIER -65.91 -41.55 91.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' CB ' HD11 ' A' ' 36' ' ' ILE . . . -64.62 -40.84 96.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -65.07 -10.81 33.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.22 -54.04 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 69' ' ' PHE . 14.7 mt -49.52 -39.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 pt -78.01 -31.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.44 25.74 10.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -91.84 -173.23 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -105.86 145.37 31.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.82 104.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 108.266 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.08 -43.19 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.6 m -136.11 121.96 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.457 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -130.88 144.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.7 m -106.33 154.85 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 83.9 mt -132.71 140.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.4 tp -111.0 85.63 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.46 169.2 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -160.91 79.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -38.07 126.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 12.6 t-20 -133.74 115.95 13.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -75.02 54.79 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 101' ' ' PRO . 1.6 m170 -175.87 48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 45' ' ' TYR . 11.3 m -116.2 54.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.37 -177.27 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -136.57 154.74 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 tp -132.1 150.8 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.15 109.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -178.0 96.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -113.3 125.82 54.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -124.17 -53.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 55.69 96.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t -144.11 129.46 18.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 139.8 109.94 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.07 5.41 22.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.2 p -143.19 118.47 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.48 156.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -167.06 139.9 3.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.05 -76.82 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m 62.97 126.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.43 148.93 31.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 131.33 2.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.28 -135.79 3.26 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.3 119.99 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.53 165.09 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -171.72 -43.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 83.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.48 136.39 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -100.09 127.82 32.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -74.98 -27.76 9.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 10.8 m-85 -173.36 -50.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.27 -175.91 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.5 mm-40 -80.73 101.01 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 4.7 mm-40 -38.49 156.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.45 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.21 171.75 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -123.66 85.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.625 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.0 t -79.35 119.54 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -81.74 160.92 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' CG1' HG22 ' A' ' 54' ' ' ILE . 27.2 t -135.28 136.2 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -111.72 68.99 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' NZ ' HG23 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -56.47 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.18 -69.42 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.78 36.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -139.18 162.23 53.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 34' ' ' ILE . 15.9 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.25 67.74 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.602 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -152.53 161.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -115.72 143.04 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.7 pp -133.58 149.15 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -135.33 148.53 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -100.7 146.97 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.5 141.27 16.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -54.54 7.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -44.62 28.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 147.29 6.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.31 173.77 18.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.4 mm -125.11 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 82.4 m-85 -128.79 141.12 51.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.53 125.12 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.507 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -94.26 -22.7 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.48 172.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 p -150.84 113.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 51' ' ' VAL . 17.1 m -55.58 149.68 13.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 56' ' ' HIS . 4.0 p -93.51 135.74 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.92 -24.24 13.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -68.84 159.29 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.538 HG22 ' CG1' ' A' ' 25' ' ' VAL . 32.1 mm -40.11 -59.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.64 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.561 ' CE1' HG21 ' A' ' 51' ' ' VAL . 1.1 t-80 -37.04 -57.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.66 -47.6 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.26 -34.58 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' HIS . . . 98.6 41.98 3.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.04 156.8 26.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -145.88 165.01 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 6.9 t80 -77.79 151.98 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.31 -13.31 55.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.7 tt0 -60.99 117.25 5.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -74.57 107.97 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 98' ' ' GLN . 64.3 mt -76.54 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -146.47 121.62 10.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.577 ' CD1' HG22 ' A' ' 85' ' ' ILE . 12.5 t80 -94.34 114.36 26.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.96 14.68 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.68 37.38 5.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.6 mt -116.14 125.0 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -56.96 97.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.72 -26.59 16.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -48.36 -23.59 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 m -127.88 53.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.27 159.88 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.468 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 82.1 p -97.47 -176.75 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -75.62 -37.51 59.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -66.57 -47.41 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.255 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 84' ' ' LEU . . . -50.4 -64.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -30.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 82' ' ' ALA . 8.1 mt -84.31 -52.7 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.577 HG22 ' CD1' ' A' ' 69' ' ' PHE . 49.8 mt -54.41 -55.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.507 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 3.0 pt -66.83 -36.4 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.61 41.78 3.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.79 -173.83 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -113.3 143.82 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 161.65 121.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -49.34 -50.2 40.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.8 m -129.27 122.9 30.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.404 HG23 ' NZ ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -132.37 144.14 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.9 m -103.74 156.29 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -132.42 141.03 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.5 tp -109.73 90.7 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.56 161.99 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.464 ' CB ' HD12 ' A' ' 67' ' ' LEU . 23.5 tt0 -159.36 75.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 20.8 t80 -37.78 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -145.92 118.12 5.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.53 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -154.93 47.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -140.23 145.26 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -178.47 -61.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.568 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -52.88 126.42 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.7 mt -99.94 170.58 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -60.98 139.54 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.77 88.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.2 m170 58.28 95.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 1.5 t -113.96 79.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' SER . 20.4 ptt180 44.55 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 64.1 p -107.24 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 144.63 7.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -118.79 80.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -150.73 -56.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.2 p -140.4 101.05 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -136.68 156.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.3 -176.52 36.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -156.43 152.78 27.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m 59.93 109.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.61 -174.71 25.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.68 -99.59 0.86 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.07 146.42 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.05 99.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -139.26 161.24 37.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.09 -68.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -86.97 112.35 21.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -85.39 145.4 42.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' C ' ' CG ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.04 -17.49 19.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CZ ' ' O ' ' A' ' 14' ' ' ARG . 5.2 m-85 68.39 -62.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' PRO . 14.6 p -144.35 134.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 5.9 mt-10 -41.12 107.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.3 mt-10 -37.59 156.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.07 13.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -105.52 169.4 8.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' CD2' ' A' ' 96' ' ' LEU . 1.9 m80 -118.62 107.56 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.37 120.24 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.48 154.05 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.605 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 27.5 t -134.23 135.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.63 72.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 14.8 mttt -64.07 -100.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.81 -70.23 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.04 32.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -145.76 157.79 50.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -75.46 -54.01 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 64.59 1.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.487 HG22 ' CB ' ' A' ' 55' ' ' ALA . 1.3 pt -147.69 145.67 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -98.66 142.96 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.6 pp -132.15 160.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -150.62 148.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -99.99 148.59 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.3 150.61 17.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.1 -18.29 46.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -40.17 64.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.63 135.69 5.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.36 -176.01 16.32 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 17.7 mm -127.05 132.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 65' ' ' GLN . 91.2 m-85 -119.76 146.82 45.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -76.32 121.89 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.463 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -94.31 -19.2 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.12 169.54 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 34' ' ' ILE . 2.6 p -149.27 102.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -38.59 142.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 70.5 t -93.07 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 92.32 -5.31 77.85 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.7 167.46 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.605 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 46.4 mm -38.94 -64.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -37.99 -65.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 1.9 t-80 -38.47 -52.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.89 -45.94 78.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.18 -45.01 94.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.66 48.8 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.47 152.95 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.89 172.74 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.1 t80 -86.53 154.67 20.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 82.88 -9.21 60.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.0 92.55 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.57 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 2.1 tt0 -59.21 133.32 55.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.33 122.88 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -97.99 -40.86 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LEU . 55.5 mt-10 -148.86 139.05 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 86' ' ' ILE . 34.4 t80 -115.93 105.05 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 3.9 t-20 58.86 16.31 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.86 -32.2 4.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 73' ' ' ASN . 2.6 mt -50.23 162.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.476 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 2.5 t30 -107.95 105.19 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ALA . 4.0 mm? -79.68 -41.62 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.62 -29.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -120.17 45.51 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -125.13 -176.43 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.74 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 43.6 p -135.31 -177.91 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.6 pt-20 -69.59 -35.46 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 81' ' ' GLN . 18.4 pt20 -70.25 -51.89 27.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.74 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.2 OUTLIER -56.36 -59.31 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . . . -42.6 -63.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -41.49 -35.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.09 -43.96 18.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' ALA . 55.7 mt -58.11 -57.5 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 13.5 pt -64.39 -30.9 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.97 37.0 3.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -99.41 -174.23 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -112.97 142.06 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 166.29 122.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -52.95 -48.62 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.7 m -132.95 123.18 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -133.33 152.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -108.38 162.69 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 69' ' ' PHE . 36.1 mt -139.99 141.19 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.593 ' CD2' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -110.85 113.78 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -123.1 176.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 29.2 tt0 -171.83 93.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -43.25 138.19 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -126.7 113.56 22.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 51.58 2.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -134.66 -46.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.56 154.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -167.6 171.72 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.566 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER 82.0 135.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.49 86.6 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.9 p -42.08 126.86 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.73 151.97 24.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -113.55 80.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.599 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.2 p -67.67 166.08 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -172.7 151.03 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -148.04 153.27 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.17 -166.1 13.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.0 p -168.64 169.33 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.4 t -69.02 166.69 17.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -179.39 80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.12 160.93 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 -161.71 16.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.17 115.33 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -65.85 146.39 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 -142.51 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.73 62.91 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -95.34 124.83 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -70.53 146.79 49.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 129.88 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.47 152.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -142.29 135.3 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -64.9 153.41 88.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -20.32 17.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -50.52 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p -142.59 149.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.51 106.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 159.69 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.6 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -132.2 157.11 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' CE1' ' CD1' ' A' ' 96' ' ' LEU . 1.4 m80 -114.41 102.79 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -97.63 125.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 158.43 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 54' ' ' ILE . 23.7 t -133.11 134.32 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.79 68.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.01 -67.4 1.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.64 37.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -141.9 161.38 51.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.9 21.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' CD2' HG12 ' A' ' 34' ' ' ILE . 17.8 tp -79.05 -55.13 5.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.48 68.12 1.53 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.517 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -153.97 150.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.75 150.3 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.06 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.4 pp -141.26 153.44 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -139.79 149.26 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -102.03 147.03 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 178.08 20.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 96.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.83 40.08 1.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.99 -142.44 9.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.99 -152.4 22.6 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 18.8 mm -117.59 137.61 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 69.5 m-85 -127.14 143.96 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.03 129.95 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.541 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -103.37 -15.32 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.32 166.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 34' ' ' ILE . 3.4 p -150.5 114.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.5 m -54.99 144.92 21.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -97.13 128.78 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 2.26 62.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ILE . 56.2 m -100.54 168.43 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.538 HG23 ' CG1' ' A' ' 25' ' ' VAL . 40.2 mm -39.44 -62.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.517 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.2 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -39.83 -49.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -57.62 -43.66 84.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -63.6 -37.21 86.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 54.71 0.82 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.1 mt -98.33 166.25 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -159.07 167.15 30.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.3 t80 -79.53 154.33 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.6 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.62 -12.03 60.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.99 97.64 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.3 tt0 -64.03 125.19 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.37 108.53 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.11 -55.02 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -144.88 139.98 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CD1' ' CG2' ' A' ' 85' ' ' ILE . 47.1 t80 -111.54 102.56 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 57.88 17.8 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.44 -39.42 2.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.443 ' CG2' HG22 ' A' ' 85' ' ' ILE . 1.9 mt -54.12 129.69 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -80.25 114.56 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 4.3 mm? -81.29 -37.27 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -41.51 -34.96 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -99.33 -34.45 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 74' ' ' LEU . . . -53.18 146.03 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 67.1 p -94.23 -170.84 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -74.28 -37.83 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -72.28 -43.0 64.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -67.8 -40.44 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.25 99.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -63.45 -13.14 37.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.53 -54.89 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.571 ' CG2' ' CD1' ' A' ' 69' ' ' PHE . 17.7 mt -47.14 -50.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.564 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.6 pt -67.66 -35.41 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.84 44.52 3.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.19 -173.87 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.3 94.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.45 119.15 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.95 -51.28 9.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.8 m -132.54 125.58 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -134.43 152.3 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -109.62 162.36 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.444 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 96' ' ' LEU . 72.4 mt -137.68 139.57 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.489 ' CD1' ' CE1' ' A' ' 22' ' ' HIS . 56.8 tp -111.8 96.56 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.31 171.46 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -162.04 80.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -37.39 136.53 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -133.46 118.62 14.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 54.38 3.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -164.94 62.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.6 t -145.7 115.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.25 164.0 26.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 138.98 45.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 tp -165.42 81.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.88 165.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.978 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.14 82.19 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.64 122.02 46.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.04 121.73 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -128.96 121.28 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.0 m -98.73 146.31 26.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.6 95.75 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.59 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t 62.8 115.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 136.81 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.86 94.77 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.009 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -153.5 136.99 15.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.09 93.01 2.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 121.92 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.24 80.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.84 111.99 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.7 -150.48 22.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 44.64 74.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 127.62 33.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.74 139.24 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 108.45 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 110.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -118.18 148.0 42.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.38 19.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -44.96 -46.56 11.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.52 -176.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' GLU . 3.0 mt-10 -80.04 101.45 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.47 151.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.509 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.95 95.48 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 1.9 ptm85 -80.31 155.87 27.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.507 ' N ' ' HD1' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -104.91 89.23 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.549 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 60.2 t -70.69 123.56 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -85.51 157.06 20.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.516 ' CG1' HG23 ' A' ' 54' ' ' ILE . 6.8 t -134.32 131.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.38 69.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -53.08 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.44 -57.24 5.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.22 151.79 37.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.28 31.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 34' ' ' ILE . 9.7 tp -66.66 -60.76 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.56 57.63 2.71 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.569 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 2.0 pt -138.35 140.51 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.67 150.68 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 82' ' ' ALA . 2.6 pp -140.15 153.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.4 m -136.8 148.82 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -100.41 145.69 27.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.98 163.8 20.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 58.3 3.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.767 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.38 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.38 149.54 4.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.8 154.64 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 25.4 mm -118.85 132.35 68.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -127.59 136.9 52.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.53 126.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.575 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -103.44 -15.69 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.18 161.96 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 55' ' ' ALA . 3.1 p -151.66 104.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 m -42.68 144.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.27 135.91 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.0 -30.13 5.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 167.98 10.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.516 HG23 ' CG1' ' A' ' 25' ' ' VAL . 43.7 mm -39.56 -57.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.569 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.33 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 55' ' ' ALA . 4.1 t-80 -39.05 -55.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.644 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -51.46 -46.89 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.73 36.68 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.29 137.84 32.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -126.91 172.64 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 8.5 t80 -81.22 152.51 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.483 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.01 -16.87 44.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.18 114.67 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.32 123.96 28.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.09 127.1 34.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.509 ' CD1' ' CB ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -90.88 -56.37 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -142.56 157.16 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 42.2 t80 -122.92 104.41 9.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 59.64 17.97 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.78 -32.41 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.481 ' CG2' HG22 ' A' ' 85' ' ' ILE . 4.8 mt -59.25 133.61 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -73.88 127.18 32.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mt -111.85 -33.2 6.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -43.51 -27.29 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -130.41 51.37 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.83 157.03 28.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 p -94.53 153.56 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.59 -23.83 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -82.02 -57.39 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.503 ' N ' HE21 ' A' ' 81' ' ' GLN . 0.0 OUTLIER -58.35 -32.62 68.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.467 ' CB ' HD12 ' A' ' 36' ' ' ILE . . . -68.82 -44.34 73.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -68.16 -8.0 34.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -98.92 -54.26 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 69' ' ' PHE . 20.2 mt -51.48 -53.26 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.567 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.0 pt -60.37 -23.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 9.89 71.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 8.0 mm-40 -62.96 -174.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.464 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -131.54 119.01 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -170.37 123.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.57 -51.58 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.1 m -126.78 117.96 23.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.429 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -128.39 141.47 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -98.24 154.1 18.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' VAL . 76.5 mt -134.89 143.45 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.4 107.31 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.54 164.64 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.45 ' HG3' ' CA ' ' A' ' 20' ' ' PRO . 38.5 tt0 -155.62 78.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.24 125.31 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -122.99 115.01 29.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.32 3.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -157.4 48.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 p -152.49 141.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -171.9 81.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -107.51 143.86 35.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.7 mt 60.6 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.91 -59.92 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 121.73 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.54 142.55 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.648 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.8 p -166.35 139.08 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -130.58 116.88 18.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.12 158.46 16.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.83 100.07 2.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 71.86 4.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.8 149.67 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.2 t -70.9 85.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.959 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p 55.11 169.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -134.15 146.03 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.79 73.46 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -127.28 164.49 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 p -88.22 100.12 12.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 -126.6 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.12 157.7 28.05 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.03 59.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.91 95.18 8.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.0 ptp180 -148.99 -50.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -96.76 147.51 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -128.79 133.53 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -111.05 99.88 44.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -18.39 18.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -44.51 -56.43 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.6 p -147.79 112.47 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.45 105.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -37.74 155.81 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 141.21 26.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -110.61 163.92 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -114.22 95.11 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.6 t -86.05 120.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -86.17 153.16 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.54 ' CG1' HG23 ' A' ' 54' ' ' ILE . 19.1 t -131.74 132.34 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.05 70.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' CE ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.8 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.86 -67.27 2.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -159.85 40.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.22 157.1 57.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD13 ' CE ' ' A' ' 27' ' ' LYS . 14.2 tp -78.24 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.73 61.21 2.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.599 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.5 151.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -109.95 143.57 39.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.2 pp -132.4 150.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.5 m -137.1 151.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -104.48 148.39 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.08 -154.9 30.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.29 68.11 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt 67.44 42.38 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.36 -148.56 9.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.89 -149.38 5.51 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 16.3 mm -127.6 141.16 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 77.1 m-85 -126.3 150.33 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.61 128.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.504 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -99.71 -20.44 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 167.62 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 34' ' ' ILE . 2.5 p -149.97 113.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -55.58 134.45 50.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -85.86 131.46 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.99 -14.64 64.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -82.73 165.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.54 HG23 ' CG1' ' A' ' 25' ' ' VAL . 32.3 mm -38.49 -59.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.84 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ALA . 11.8 t-80 -37.3 -56.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -49.57 -46.35 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.91 -44.53 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.57 46.32 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.83 153.99 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -144.22 163.98 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.9 t80 -80.24 154.88 27.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 76.82 -1.54 62.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 89.29 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.6 tt0 -48.8 133.11 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -88.86 113.92 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' CD1' ' CD1' ' A' ' 96' ' ' LEU . 15.3 mt -82.14 -71.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -134.73 137.81 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 54.7 t80 -106.06 99.14 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.432 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 58.09 17.57 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.86 -44.57 1.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 85' ' ' ILE . 3.8 mt -50.78 129.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -82.04 120.29 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.74 -40.25 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 2.5 mtp-105 -38.08 -35.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.23 57.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.31 173.36 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.3 p -124.16 149.45 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.456 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -44.82 -38.11 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.79 -38.56 86.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.57 -54.57 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.32 -41.78 13.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -65.58 -34.17 77.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' GLN . 13.0 mt -78.44 -39.6 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 88' ' ' GLN . 41.9 mt -63.13 -64.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.583 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.4 pt -53.0 -24.72 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.23 15.82 61.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.7 mm-40 -66.06 -174.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.98 124.38 39.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.83 124.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.88 -53.79 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.2 m -130.44 122.22 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.432 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -130.31 147.55 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 m -108.4 158.12 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.8 mt -139.65 147.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.614 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 2.8 tm? -114.71 115.13 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.18 176.73 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -169.28 90.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -38.97 135.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -126.46 106.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 54.76 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -161.94 48.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.6 p -156.59 66.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 12.4 p80 -106.59 64.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -100.87 170.76 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mp 66.16 159.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.4 t -67.14 85.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.2 158.32 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.07 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.5 t -130.57 151.99 50.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -103.83 108.48 19.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -100.49 110.0 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.27 160.02 23.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.0 m 59.97 117.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -88.61 88.41 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m 44.31 80.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.15 136.4 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.1 113.8 1.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 m -97.62 85.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.764 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -151.87 146.48 25.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.02 145.61 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.99 172.63 40.94 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.48 123.9 48.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.44 171.58 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 163.67 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.9 129.18 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -104.64 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 18' ' ' GLU . 17.6 mtm105 -116.95 83.02 14.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.47 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.07 -0.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.47 ' CE1' ' HD2' ' A' ' 15' ' ' PRO . 8.6 p90 -152.68 -50.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' CG2' ' HD2' ' A' ' 101' ' ' PRO . 0.3 OUTLIER -170.04 169.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.5 mt-10 -59.35 108.25 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' GLU . 6.3 mt-10 -37.01 154.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 164.11 23.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 96' ' ' LEU . 2.0 m80 -115.15 99.76 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.24 123.75 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -86.75 152.97 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.516 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 8.4 t -133.68 131.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 71.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 30' ' ' GLU . 12.9 mmtt -55.83 -71.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.38 -59.02 4.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -165.93 34.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -147.24 153.56 44.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.19 10.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 25' ' ' VAL . 12.5 tp -77.11 -53.97 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.32 59.67 3.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.595 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.4 pt -141.01 139.57 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -93.41 143.41 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.7 pp -136.26 146.84 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 47' ' ' SER . 3.1 m -124.56 149.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -101.1 147.06 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.14 -5.93 52.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 48.75 40.9 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.8 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.31 -115.49 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.12 -147.34 6.17 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -107.07 142.52 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -132.98 137.77 46.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.88 133.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.493 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 0.5 OUTLIER -106.46 -20.77 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 169.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.12 119.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -57.07 135.08 56.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.43 129.2 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.71 -23.67 31.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 p -70.31 166.18 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.516 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 39.2 mm -40.75 -55.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.595 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -40.63 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -40.45 -42.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.35 -42.65 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.54 -37.84 82.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.26 44.25 2.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.75 148.69 21.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.78 172.83 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 7.2 t80 -82.84 155.69 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.566 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.0 -10.29 60.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.37 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -74.98 125.34 28.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.1 116.19 23.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.4 mt -87.54 -51.7 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -138.34 153.09 48.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CD2' HG22 ' A' ' 85' ' ' ILE . 60.4 t80 -126.62 96.13 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.37 11.11 8.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.09 -27.49 5.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 73' ' ' ASN . 1.8 mt -60.58 141.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' N ' HG23 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -84.69 100.22 11.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.04 -24.51 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -45.49 -27.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -129.8 62.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.98 155.12 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 p -97.09 147.4 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -41.28 8.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.33 -39.65 94.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.34 -47.77 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -50.76 -56.08 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -50.83 -27.17 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.47 -56.1 3.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 69' ' ' PHE . 62.3 mt -48.19 -41.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.545 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.4 pt -79.86 -35.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.18 35.95 3.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 3.3 mt-30 -98.22 -173.91 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.508 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 1.8 pm0 -103.55 143.48 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.49 107.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.01 -46.9 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.8 m -132.07 127.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.513 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -139.04 146.39 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 m -106.87 157.55 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.4 mt -132.52 140.36 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 22' ' ' HIS . 20.8 tp -111.3 83.22 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.69 175.86 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -169.45 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -37.52 127.29 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -134.47 118.7 13.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 -152.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 49.25 27.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 t -127.09 137.84 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.95 154.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -150.55 146.2 26.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mp -115.16 126.61 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.1 p -105.19 168.35 9.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.4 m -115.4 172.69 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -146.9 175.67 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.44 166.22 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 163.32 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 p -141.79 172.36 12.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -117.41 156.51 15.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.18 152.47 29.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.85 162.31 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.4 m -163.92 170.25 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.73 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -174.24 161.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.9 100.51 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.03 85.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.51 168.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.74 147.37 5.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.44 -62.69 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.13 151.45 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -88.09 139.46 30.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.37 143.82 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.95 116.62 30.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.8 153.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.55 144.64 44.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 -17.29 19.66 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 57.35 -84.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' PRO . 8.5 p -124.71 154.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.81 105.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -40.92 155.76 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.71 14.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 12.2 ptm180 -110.38 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -126.28 96.18 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -87.95 123.26 40.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -90.5 152.83 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.542 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 15.7 t -134.53 132.66 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -106.3 70.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -49.62 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.49 59.89 3.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -145.53 159.39 48.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 34' ' ' ILE . 21.3 tp -105.42 -46.94 4.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.65 66.0 2.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.35 143.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 t -99.49 145.18 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -134.24 157.98 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -149.11 148.54 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -101.26 146.66 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.45 -162.14 30.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.16 63.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 69.02 45.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.66 -129.28 4.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.13 -154.28 23.32 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 20.6 mm -118.13 133.45 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.35 144.71 48.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.89 123.0 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.507 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -95.4 -11.14 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.67 173.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' ' C ' ' A' ' 50' ' ' THR . 1.4 p -146.73 60.47 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.522 ' C ' ' O ' ' A' ' 49' ' ' VAL . 6.2 m 28.13 -139.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 50' ' ' THR . 13.4 t -161.1 116.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 73.24 4.9 65.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -79.94 166.02 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.542 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 37.3 mm -36.77 -58.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.586 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -46.55 -59.39 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.404 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 16.4 t-80 -47.15 -42.99 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -68.28 -30.99 70.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.02 47.99 1.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.11 -176.58 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.73 162.68 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.507 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 4.8 t80 -76.7 149.01 36.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.481 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.41 -11.49 67.8 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 105.65 7.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.97 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.0 mt -90.98 96.08 10.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.65 -57.62 8.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.14 148.12 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.642 ' CE1' HG13 ' A' ' 93' ' ' ILE . 49.0 t80 -109.1 99.45 8.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.585 ' ND2' ' CD1' ' A' ' 69' ' ' PHE . 15.7 p30 44.74 26.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 69' ' ' PHE . . . 97.56 55.66 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.523 HG21 ' CD1' ' A' ' 85' ' ' ILE . 1.4 mt -146.17 107.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.59 121.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 69' ' ' PHE . 18.0 mt -118.53 -42.37 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -45.49 -26.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 m -123.7 36.48 4.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.53 164.03 12.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.4 p -107.74 147.64 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -43.59 -42.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HG3' ' NE2' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -60.72 -40.86 93.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.56 -52.36 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.02 -58.27 4.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 8.4 mtt85 -48.97 -27.96 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.2 -51.95 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.53 HG21 ' CD1' ' A' ' 69' ' ' PHE . 65.9 mt -55.3 -42.83 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.551 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.6 pt -75.04 -32.05 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 36.02 3.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.95 -172.38 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -114.8 118.66 34.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -167.57 105.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.293 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . 87.7 m-20 -39.28 -43.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.8 m -135.95 112.16 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.642 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -118.45 144.26 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -109.09 157.5 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.7 mt -133.04 147.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' CD1' ' O ' ' A' ' 21' ' ' ARG . 48.9 tp -117.04 85.17 2.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.04 172.18 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 34.7 tt0 -169.54 80.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 52.6 t80 -36.67 136.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -132.94 116.13 14.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.41 3.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 57.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -137.55 127.16 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.74 127.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -145.58 102.4 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.7 mt 52.97 176.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.21 154.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.14 94.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -170.73 168.54 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.0 t -102.72 113.06 26.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -100.57 165.19 11.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 t -131.37 144.55 51.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -164.17 157.64 30.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 m -114.35 101.96 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.8 t -130.25 141.32 50.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.34 106.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 144.95 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.08 172.59 14.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -115.94 -68.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.05 157.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 138.03 31.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.02 119.7 5.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -133.7 67.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.83 112.18 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.45 108.47 9.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -169.37 161.46 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 6.7 p-10 -168.71 116.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER 38.29 79.51 0.31 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.1 14.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.53 -47.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.85 172.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 23.8 mp0 -75.05 102.37 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -36.22 153.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.465 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.79 152.21 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.569 ' N ' ' HD1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -102.35 98.66 8.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' ILE . 97.7 t -84.84 128.31 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.77 162.83 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 20.6 t -137.83 141.72 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.32 70.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 1.6 mptt -62.58 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.79 -59.12 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.69 35.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CG ' HD11 ' A' ' 54' ' ' ILE . 1.2 pm0 -147.04 158.71 44.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.52 18.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 34' ' ' ILE . 19.7 tp -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 34' ' ' ILE . . . 87.97 61.77 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.608 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -155.46 155.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 t -104.84 141.56 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.2 pp -133.91 152.94 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -136.78 150.19 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -98.38 145.99 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.64 158.68 21.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -39.18 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -58.66 -40.91 84.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.57 -135.22 4.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.63 157.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 8.7 mm -122.79 144.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -140.88 132.25 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 68.8 t -56.88 133.9 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -107.25 -18.23 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.15 157.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.8 154.2 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.4 m -104.75 119.38 38.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.6 t -69.07 133.46 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.89 45.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.03 160.89 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.591 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 45.7 mm -37.73 -62.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.56 -68.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ALA . 48.8 t-80 -38.57 -50.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.34 -46.76 82.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -31.96 69.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.27 36.84 4.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -82.44 175.53 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.94 175.16 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.3 t80 -84.49 151.34 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.513 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.06 -5.93 81.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.79 114.53 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.65 113.7 16.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.96 127.3 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -95.85 -57.85 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 72' ' ' ILE . 36.2 mt-10 -133.19 177.99 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.566 ' CD1' HG23 ' A' ' 85' ' ' ILE . 49.1 t80 -152.29 98.03 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.428 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.5 m-20 58.63 17.92 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.69 -30.56 4.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 73' ' ' ASN . 1.8 mt -62.29 158.39 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 1.9 t-20 -108.7 103.76 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.26 -23.03 30.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -20.02 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ALA . 4.3 m -119.06 -36.67 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 76' ' ' SER . . . -42.86 164.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -101.75 -167.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 4.6 pt-20 -83.45 -37.76 22.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.51 72.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -36.96 55.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 36' ' ' ILE . . . -67.78 -41.77 82.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -65.04 -11.64 41.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.28 -54.65 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 69' ' ' PHE . 15.7 mt -47.16 -47.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -69.44 -32.65 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 37.11 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.45 -173.82 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -103.42 146.96 27.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.84 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.263 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -48.09 -44.42 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.1 m -134.61 116.73 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.448 HD12 ' CG1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -125.65 141.03 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.2 m -97.54 152.54 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.448 ' CG1' HD12 ' A' ' 93' ' ' ILE . 89.2 mt -136.88 144.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -114.16 105.51 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.22 173.69 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -165.37 77.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.09 127.64 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -124.55 114.68 27.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -160.22 54.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -169.75 123.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -169.63 129.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -122.94 109.53 14.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.57 118.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -110.77 112.54 24.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.08 130.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.08 177.13 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.544 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -128.22 175.26 8.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.15 159.6 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -70.12 111.79 6.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.24 -178.42 1.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -51.71 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.435 1.755 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.31 161.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 87.6 p -132.0 165.06 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.18 151.28 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -58.83 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.35 141.89 10.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.91 113.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 155.57 44.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.62 -73.6 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.45 153.92 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.78 123.07 48.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.91 94.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.64 136.71 16.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.08 149.71 39.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.4 164.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 114.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.05 -28.36 9.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -36.96 -52.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 p -170.09 146.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.1 mt-10 -47.2 107.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 21.1 mt-10 -38.52 156.39 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -94.52 171.44 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -117.26 88.48 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 95' ' ' ILE . 54.1 t -73.01 121.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.42 160.31 18.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.571 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 3.0 t -140.82 146.31 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -124.2 54.66 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' GLN . 12.0 mttt -38.74 -66.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.16 -60.01 4.26 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -165.42 36.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -148.61 150.14 32.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.33 42.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.99 -62.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.84 56.91 2.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.531 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pp -143.78 132.95 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.59 148.89 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.3 pp -137.72 151.15 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.2 149.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -101.97 146.02 28.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.07 153.89 20.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -72.27 59.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.04 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.9 145.91 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.73 151.01 10.57 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 14.8 mm -116.3 139.83 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 52.2 m-85 -132.32 144.02 50.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 61.6 t -66.36 127.27 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.66 -24.75 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.73 175.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG12 ' CG2' ' A' ' 34' ' ' ILE . 1.5 t -115.38 -165.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 51' ' ' VAL . 1.2 m -119.0 -7.88 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' THR . 40.5 t 61.96 137.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.04 32.08 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -118.45 166.49 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.571 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 47.5 mm -37.72 -58.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -45.04 -64.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.4 t-80 -39.32 -46.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -61.25 -46.25 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.22 -17.16 51.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.53 6.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.0 mt -100.64 144.15 29.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.31 171.34 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 12.6 t80 -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.506 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.79 -31.81 4.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.34 101.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 8.4 tt0 -72.72 117.98 15.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.8 mt -72.69 106.63 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.3 mt -80.99 -50.92 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -149.43 137.69 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 42.4 t80 -108.64 104.81 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.35 17.55 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 -45.15 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 73' ' ' ASN . 2.2 mt -41.64 152.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' N ' HG22 ' A' ' 72' ' ' ILE . 2.4 t-20 -101.53 113.27 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 66' ' ' LEU . 3.9 mm? -80.44 -40.44 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.73 -36.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -112.69 48.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -130.09 -177.31 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.744 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 51.2 p -135.36 178.42 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.4 pt-20 -68.16 -36.7 80.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 17.7 pt20 -68.69 -41.06 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.744 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.2 OUTLIER -71.26 -53.87 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.93 -55.67 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -53.02 -26.26 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' GLN . 16.7 mt -86.6 -38.86 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.507 ' O ' ' CG ' ' A' ' 88' ' ' GLN . 67.5 mt -65.57 -64.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.575 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -54.44 -22.07 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 12.69 69.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.6 mm-40 -61.77 -174.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.4 ' O ' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.52 117.2 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.2 m -175.4 118.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -45.93 -52.59 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 4.0 m -125.66 112.92 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -122.48 147.61 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.1 m -102.27 162.9 12.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' VAL . 4.5 mt -141.01 142.83 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.4 tp -112.07 88.29 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.02 174.58 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -168.07 83.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -38.15 143.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -134.35 109.93 11.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' O ' ' CB ' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.98 54.49 3.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 101' ' ' PRO . 3.1 p-80 169.47 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 45' ' ' TYR . 1.9 p -136.25 -54.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' VAL . 78.9 m80 39.87 80.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -89.59 78.47 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.94 159.75 27.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.8 p -176.98 154.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 117.79 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -112.47 166.91 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.01 91.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.91 108.71 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 151.96 23.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.61 154.1 7.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 p -176.63 -62.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.7 m 58.71 93.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.11 89.82 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -162.4 134.25 5.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.39 137.46 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -148.43 123.0 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -91.14 87.6 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.54 146.4 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.52 136.63 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -176.15 169.66 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -89.01 95.1 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.44 120.77 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 162.42 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 3.8 m-20 -115.04 39.75 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER 77.63 92.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -13.08 21.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.11 -32.42 9.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -139.7 143.64 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLU . 4.6 mt-10 -43.52 107.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.2 mp0 -38.39 156.8 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.66 20.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -118.8 169.56 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.404 ' HD1' ' N ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -116.94 116.46 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.65 118.73 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.01 157.1 28.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.531 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.1 t -134.33 134.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -108.76 68.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.47 7.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 50.08 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.777 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 6.6 mm-40 -147.19 162.32 33.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.79 12.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.09 -45.95 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 67.65 65.02 2.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.591 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.2 pt -143.74 155.22 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.39 146.04 41.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -138.49 153.67 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.3 m -140.98 149.08 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -99.84 146.62 26.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.79 70.36 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.54 83.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.4 35.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.8 -149.91 13.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.84 -160.82 5.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CD1' ' O ' ' A' ' 78' ' ' THR . 18.6 mm -129.14 135.82 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 24.4 m-85 -127.36 133.09 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.84 129.11 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.567 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -102.47 -11.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.003 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 174.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.95 100.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' GLY . 26.4 m -42.09 150.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' N ' HG21 ' A' ' 50' ' ' THR . 3.2 p -98.5 138.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.79 -20.34 28.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -76.68 163.63 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.531 HG22 ' CG1' ' A' ' 25' ' ' VAL . 32.0 mm -40.11 -57.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.49 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.415 ' NE2' HG22 ' A' ' 51' ' ' VAL . 8.4 t-80 -38.94 -51.41 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.96 -45.5 78.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.12 -34.41 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.9 43.26 2.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.2 mt -86.33 150.54 24.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.9 166.56 25.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 11.0 t80 -77.73 154.47 32.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.533 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.38 -21.4 25.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 98.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.4 tt0 -65.8 121.5 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CB ' HD13 ' A' ' 74' ' ' LEU . 13.3 mt -79.41 128.26 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 65' ' ' GLN . 94.5 mt -101.12 -60.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -132.43 144.73 50.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CD1' HG22 ' A' ' 85' ' ' ILE . 18.2 t80 -118.95 110.39 17.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 49.13 23.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.38 -33.78 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.434 HG23 ' CD1' ' A' ' 85' ' ' ILE . 1.8 mt -58.74 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -73.2 93.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 12.9 mt -57.96 -40.31 80.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -40.83 128.25 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 1.3 t 88.63 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -48.85 175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.716 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 43.1 p -115.03 -161.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -87.93 -38.8 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.9 -40.09 94.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.716 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.5 OUTLIER -71.05 -41.06 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.34 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.08 88.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -65.92 -9.87 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.8 -55.1 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.565 HG22 ' CD1' ' A' ' 69' ' ' PHE . 18.8 mt -49.27 -47.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.442 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.9 pt -68.89 -33.39 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.23 40.87 2.92 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -105.91 -173.38 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -107.77 146.61 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.287 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.83 107.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.338 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -40.85 -48.15 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.3 m -133.03 123.78 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.545 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -129.19 146.48 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.421 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.7 m -103.05 158.98 15.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.3 mt -139.01 139.74 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.9 tp -114.6 88.78 2.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.45 167.42 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' TYR . 39.0 tt0 -151.61 87.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLN . 27.7 t80 -37.07 111.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.68 111.7 35.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -152.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.5 m80 52.24 24.59 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.63 114.39 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.05 173.26 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 63.07 141.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.469 ' CD1' ' OH ' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -134.93 -67.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.98 134.9 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.3 p -77.28 165.78 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.36 81.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.635 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.08 140.57 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -126.2 159.13 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.47 174.41 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -98.96 -138.56 10.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 84.45 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.93 167.05 10.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.6 t -87.55 147.65 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.34 155.55 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -145.64 84.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.79 133.23 1.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.57 113.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -160.77 159.57 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.61 143.66 3.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.94 -170.33 28.7 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -168.38 161.81 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.246 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.32 90.52 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 177.65 118.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.58 150.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.67 109.71 16.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . 16.6 mtt85 61.7 112.93 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.02 -20.75 16.52 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' CZ ' ' O ' ' A' ' 14' ' ' ARG . 8.9 m-85 68.48 -60.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PRO . 9.0 p -136.8 159.06 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 4.0 mm-40 -51.24 108.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.4 pm0 -38.27 151.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 137.56 22.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -118.2 172.55 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -119.02 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.61 117.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.38 145.85 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' A' ' 54' ' ' ILE . 3.9 t -127.0 130.58 71.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -109.86 68.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' CD ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.48 -85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.98 -62.74 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -167.76 34.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -138.08 159.14 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.83 30.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' HB ' ' A' ' 86' ' ' ILE . 14.2 tp -71.7 -57.28 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' O ' ' CG2' ' A' ' 34' ' ' ILE . . . 84.71 63.51 1.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.495 HG21 ' CB ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -156.17 151.65 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.0 t -101.07 143.34 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -136.37 144.21 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -130.89 148.63 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -101.59 146.08 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.77 169.24 31.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.97 52.78 2.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -174.77 -45.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.73 5.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.39 152.97 13.53 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.2 mm -118.42 137.59 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -130.92 135.06 47.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 28.9 t -62.95 128.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.499 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.95 -22.15 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 161.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 50' ' ' THR . 1.4 t -123.99 157.28 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 97.1 m -99.22 165.57 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 t -102.07 146.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.35 34.16 17.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ILE . 84.6 p -114.62 157.04 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.527 HG23 ' CG1' ' A' ' 25' ' ' VAL . 31.2 mm -39.17 -54.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -51.25 -59.85 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -42.58 -34.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.13 -39.77 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.55 -17.05 53.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.32 38.24 18.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.9 162.17 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.89 169.22 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -75.46 152.9 37.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.582 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.42 -15.41 50.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.99 99.89 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.99 112.05 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.15 117.06 12.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.37 -62.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' LEU . 27.9 mt-10 -139.74 138.42 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' HG22 ' A' ' 85' ' ' ILE . 11.6 t80 -107.98 111.2 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 93' ' ' ILE . 5.5 t-20 47.35 25.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.71 -35.36 4.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 HD13 ' CG2' ' A' ' 85' ' ' ILE . 2.8 mt -54.96 130.92 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.16 90.15 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.81 -33.89 76.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.69 -29.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 49.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.2 158.24 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -100.02 157.3 16.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -52.56 -38.65 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.2 -34.75 78.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.11 -38.98 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.05 95.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -70.54 -6.87 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.39 -55.22 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.572 HG22 ' CD1' ' A' ' 69' ' ' PHE . 22.9 mt -47.5 -43.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.451 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 5.6 pt -70.55 -30.98 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -91.69 29.11 7.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -99.65 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.365 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -82.96 -162.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 5.1 t 100.35 87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.46 -35.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m -140.55 102.51 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.568 ' CD1' ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -116.02 145.36 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.422 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.7 m -103.09 157.64 16.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 69' ' ' PHE . 45.4 mt -132.27 146.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' GLU . 64.8 tp -112.42 99.4 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.17 160.83 15.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 31.9 tt0 -152.61 92.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -43.54 119.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.62 111.02 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.49 3.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -156.21 50.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.29 62.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -151.88 124.53 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -161.46 97.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp 71.2 -69.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 t 43.36 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.4 p 178.37 142.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.1 m80 54.4 87.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -165.38 127.79 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.62 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.3 m -98.59 149.91 22.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.5 163.93 27.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.91 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 86.0 p -91.86 93.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.5 m 59.44 86.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -178.14 150.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.88 79.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.96 76.62 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -99.4 -56.97 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.54 -67.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.98 -132.16 2.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.78 74.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -85.0 101.06 12.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -124.55 148.93 47.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 62.4 130.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 168.12 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.82 143.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -51.36 116.0 7.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -74.97 -24.18 13.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 5.7 m-85 -174.41 -56.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -121.69 172.0 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -72.51 105.76 4.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -32.49 152.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 122.51 7.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.91 178.71 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -129.93 81.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.561 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.98 119.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 152.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 54' ' ' ILE . 9.6 t -132.74 132.88 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.25 74.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 93' ' ' ILE . 3.0 mmtt -59.63 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.15 -52.06 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -177.98 36.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.36 155.72 60.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.5 tp -79.45 -54.89 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.72 64.39 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.592 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -151.34 143.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 5.8 t -91.16 142.73 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.6 pp -139.0 150.54 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.5 m -134.52 149.54 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -97.78 148.36 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . -88.85 31.32 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.6 tt0 38.2 57.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.737 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.79 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.45 147.23 5.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.22 148.22 22.2 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 12.0 mm -124.15 135.87 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 0.723 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 31.2 m-85 -127.47 138.48 52.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 91.0 t -63.29 131.39 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.475 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -109.84 -16.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.026 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -178.91 164.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 50' ' ' THR . 1.3 t -135.43 155.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.43 ' N ' HG13 ' A' ' 49' ' ' VAL . 93.7 m -104.0 121.12 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.91 130.93 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -22.32 19.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 p -68.25 160.08 29.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.747 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.515 HG22 ' CG1' ' A' ' 25' ' ' VAL . 37.8 mm -40.54 -56.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -40.6 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ALA . 32.9 t-80 -38.51 -49.14 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.564 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -53.49 -48.24 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -62.24 -36.38 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 51.55 1.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.0 158.65 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -143.63 158.79 43.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.4 t80 -79.25 156.7 28.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.604 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 89.21 -33.11 4.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -58.91 145.53 41.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.0 tt0 -105.8 133.25 50.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' CB ' HD13 ' A' ' 74' ' ' LEU . 16.5 mt -99.3 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.508 ' CD1' HD11 ' A' ' 96' ' ' LEU . 11.0 mt -88.18 -44.2 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -139.62 168.21 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.573 ' CE1' HG13 ' A' ' 93' ' ' ILE . 39.4 t80 -143.08 101.68 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.6 t-20 59.45 16.71 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.01 -26.16 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.433 HD11 ' CG2' ' A' ' 85' ' ' ILE . 2.0 mt -58.07 157.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.75 97.52 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.1 mt -77.33 -41.6 39.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -124.68 52.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -131.97 163.42 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.408 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 14.6 p -108.51 155.47 20.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -47.16 -37.3 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.5 -56.42 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.3 OUTLIER -57.31 -45.35 84.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.419 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -58.01 -44.55 87.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -63.9 -11.96 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.44 -54.53 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 69' ' ' PHE . 15.7 mt -47.23 -48.34 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.7 pt -70.28 -30.88 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 36.84 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 3.3 mt-30 -105.83 -174.36 2.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.495 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 1.9 pm0 -102.22 148.24 25.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.79 106.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.39 -46.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.4 m -134.99 122.01 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -131.03 144.89 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -105.26 170.48 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 96' ' ' LEU . 79.3 mt -145.54 140.31 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.526 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.2 tm? -105.31 116.41 31.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.77 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 99' ' ' TYR . 33.1 tt0 -140.88 48.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 2.7 t80 35.05 -156.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 5.1 p-10 159.68 79.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.44 32.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.6 t -120.28 -51.17 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -45.03 -60.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.66 131.87 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.8 mt 62.47 147.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.05 97.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 p -179.96 140.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.08 144.4 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 m -119.35 129.82 55.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.11 159.46 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.92 88.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.98 157.28 17.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.5 5.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.27 -58.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.63 161.62 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -143.02 155.35 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -155.27 140.69 17.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.95 146.98 18.52 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -174.49 104.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.42 167.81 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.99 -127.24 0.88 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.39 176.3 28.86 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -161.49 106.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 169.11 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.1 -54.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.91 -67.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.7 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -116.15 87.99 21.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -153.73 -43.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -155.4 144.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.88 107.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.14 151.27 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.73 11.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 4.5 ptp85 -105.57 168.31 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -117.44 106.39 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.7 t -100.55 116.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.72 158.79 31.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.558 ' CG1' HG23 ' A' ' 54' ' ' ILE . 33.0 t -133.93 136.47 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -111.44 71.65 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -62.79 -84.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 54.65 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.69 43.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.0 mp0 -144.31 157.38 56.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -86.74 -55.91 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.03 62.94 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -153.67 148.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 3.7 t -98.54 141.96 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 82' ' ' ALA . 2.2 pp -132.41 155.49 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 5.3 m -142.24 153.6 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -112.27 147.34 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.42 17.44 58.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.93 -67.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.38 -44.96 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.31 155.27 7.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 150.88 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 19.2 mm -123.16 137.73 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 70.5 m-85 -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 50.3 t -59.53 130.98 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.485 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -103.26 -20.64 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -178.22 166.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 50' ' ' THR . 1.4 t -134.37 153.97 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' HG12 ' A' ' 49' ' ' VAL . 98.6 m -99.5 150.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 4.3 p -94.01 144.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.04 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 159.25 15.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.558 HG23 ' CG1' ' A' ' 25' ' ' VAL . 39.1 mm -40.76 -64.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.543 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.28 -63.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 3.1 t-80 -39.44 -51.36 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -61.32 -42.19 98.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.07 -29.55 67.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.1 46.02 3.7 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.44 168.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.36 165.04 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.9 t80 -83.16 156.85 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.63 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.29 -6.2 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.96 102.16 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -53.75 130.01 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.3 mt -89.1 107.04 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.617 ' CD1' ' CD1' ' A' ' 96' ' ' LEU . 17.6 mt -77.09 -74.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -132.31 155.72 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.573 ' CD1' HG22 ' A' ' 85' ' ' ILE . 43.3 t80 -124.87 104.54 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.53 13.58 7.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.14 19.29 63.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.445 HG22 ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -80.97 6.99 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 53.68 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' A' ' 77' ' ' ALA . 3.4 mt -93.02 -21.9 19.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -45.46 -25.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' LEU . 29.1 t -126.74 60.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -139.79 161.35 37.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.487 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 41.1 p -102.42 179.28 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.0 pt-20 -70.0 -37.33 75.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.08 -39.97 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.487 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -71.61 -52.05 20.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 36' ' ' ILE . . . -46.35 -57.3 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -48.08 -31.92 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' GLY . 21.6 mt -82.61 -57.72 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.573 HG22 ' CD1' ' A' ' 69' ' ' PHE . 58.4 mt -43.21 -57.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.6 pt -62.31 -30.17 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -87.94 36.67 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.82 -174.12 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -115.85 118.11 32.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.3 m -168.9 116.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -46.27 -52.52 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.3 m -130.28 127.2 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.86 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.9 m -98.18 155.33 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.8 mt -136.99 148.13 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.617 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 3.2 tm? -116.94 114.72 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.45 177.53 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 45.9 tt0 -173.68 79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 24.0 t80 -37.17 130.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -115.09 109.14 47.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.61 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -174.21 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.613 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -133.89 137.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -165.4 151.82 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -122.53 154.04 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.3 tp -109.51 145.78 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.3 m 58.66 159.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.957 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -60.54 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 62.1 167.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.612 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 p 57.84 176.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.006 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? 58.94 113.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.86 138.34 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.19 118.69 15.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.01 40.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.14 164.93 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -41.74 106.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.035 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.049 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -176.3 164.1 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m 66.79 160.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.51 -117.01 3.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 t -164.18 142.57 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -163.15 152.82 15.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.26 14.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.49 -158.58 7.74 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.68 145.48 34.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.99 89.29 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.2 132.44 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 56.11 3.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -136.67 119.47 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -91.7 118.74 68.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -113.76 -49.54 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.94 -176.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.97 101.96 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.71 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.64 29.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -122.86 166.58 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.82 105.28 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.2 t -97.59 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 160.09 15.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' ' CG2' ' A' ' 92' ' ' THR . 13.5 t -136.35 148.74 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -127.49 53.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -37.46 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.59 55.94 3.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.07 42.08 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.9 mt-10 -142.63 156.66 63.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.88 30.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 34' ' ' ILE . 21.9 tp -85.62 -34.89 21.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.25 68.26 1.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.609 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -151.16 152.66 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -109.25 141.39 41.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 66' ' ' LEU . 2.4 pp -133.83 151.15 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -138.97 148.71 23.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -100.64 146.23 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . -104.65 145.28 15.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -38.5 -66.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.84 -147.88 4.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.1 -148.21 8.53 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 mm -101.77 139.69 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 70.4 m-85 -132.41 141.1 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.07 127.9 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.499 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -98.62 -22.28 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tttt 179.74 172.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.75 140.52 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 m -102.58 157.68 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -90.26 158.18 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 55.53 17.48 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.573 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 1.1 m -104.95 12.23 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.573 ' HB ' ' O ' ' A' ' 53' ' ' SER . 5.8 mm 85.96 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -51.14 -66.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -45.87 -49.79 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.55 -39.46 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.21 -29.49 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 55.22 1.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.47 143.72 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.91 172.77 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 8.4 t80 -84.48 155.75 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.972 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.572 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.95 -13.18 57.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.16 115.04 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 tt0 -69.15 125.54 26.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 36' ' ' ILE . 90.1 mt -79.78 91.23 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.617 ' CD1' ' CD1' ' A' ' 96' ' ' LEU . 30.1 mt -57.86 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 5.1 mt-10 -126.26 169.06 13.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 53.8 t80 -131.74 99.68 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.8 t-20 63.92 14.32 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 68' ' ' GLU . . . 118.71 -16.67 11.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.61 134.54 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.353 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -83.21 106.62 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.13 -21.8 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -52.82 -24.89 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.2 m -122.02 44.76 2.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.2 -170.94 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.729 ' HG1' ' NE2' ' A' ' 81' ' ' GLN . 35.5 p -127.41 -171.43 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.5 pt-20 -80.53 -37.25 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.411 ' NE2' ' OE1' ' A' ' 81' ' ' GLN . 9.0 pt20 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.729 ' NE2' ' HG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -75.97 -46.32 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.39 -55.4 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -55.94 -23.87 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.18 -40.51 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 88' ' ' GLN . 80.1 mt -67.65 -47.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.57 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 4.9 pt -67.58 -21.57 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.92 12.15 70.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 24.9 mm-40 -56.77 178.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -112.63 133.05 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 165.89 112.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.299 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -43.22 -49.43 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.4 m -127.04 121.8 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.503 ' CD1' ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.43 153.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.9 m -109.52 159.28 17.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 mt -137.16 153.9 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.617 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 3.2 tm? -118.13 116.39 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.39 177.76 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -174.27 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -39.9 125.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -123.85 106.82 31.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.28 3.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.564 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -139.72 -49.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' VAL . 22.8 p80 49.7 -173.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.586 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 66.14 157.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -139.66 -58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.32 138.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.5 m -107.79 78.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -59.58 101.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.632 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.3 p -78.53 156.92 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.03 148.99 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.5 t -103.32 144.65 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.09 128.29 8.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.66 41.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -98.35 137.18 37.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.76 145.88 15.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.049 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.92 145.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.16 170.01 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.87 157.06 29.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -173.76 170.86 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.88 164.39 31.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.06 -173.37 44.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.3 160.59 27.62 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -175.26 150.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.294 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.46 79.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -176.45 166.56 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -67.97 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.1 80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -148.92 82.66 7.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.539 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.4 Cg_endo -74.99 -24.81 12.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 10.6 m-85 -173.6 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.3 -176.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.3 mt-10 -79.54 101.42 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -36.98 154.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.31 12.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 1.9 ptm85 -106.69 174.99 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CE1' HD11 ' A' ' 96' ' ' LEU . 9.5 m80 -123.42 91.82 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 39.0 t -77.68 114.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.56 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 5.0 t -134.0 152.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -131.01 51.51 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 1.2 mtpt -40.1 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.76 -99.37 2.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.98 28.65 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -147.03 154.84 47.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.53 9.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 34' ' ' ILE . 33.8 tp -79.0 -50.03 11.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.59 68.25 1.54 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 HG12 ' CD2' ' A' ' 32' ' ' LEU . 1.2 pt -149.33 159.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -115.86 142.74 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.2 pp -134.83 151.1 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -137.93 149.42 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -98.98 146.13 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.05 -178.96 31.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 75.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mttm 65.58 40.52 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.16 -120.5 3.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.0 -154.49 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.7 mm -113.87 139.1 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 75.2 m-85 -131.02 143.57 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 51.3 t -68.0 127.26 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.497 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.89 -26.34 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.58 168.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.26 125.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.7 m -57.12 157.26 6.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.515 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.8 t -99.52 127.58 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 87.53 -12.19 63.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ILE . 94.8 p -72.39 160.31 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.56 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 33.8 mm -37.66 -54.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -47.72 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 1.8 t-80 -39.15 -45.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.54 -46.52 87.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.7 -40.59 92.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 49.56 0.86 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.28 136.19 34.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.57 169.86 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.8 t80 -81.48 151.07 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.547 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.87 -16.85 49.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 91.11 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -58.31 126.61 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mt -88.18 105.82 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.21 -54.49 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 142.11 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.647 ' CE1' HG13 ' A' ' 93' ' ' ILE . 50.7 t80 -108.66 104.54 13.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 69' ' ' PHE . 17.8 p30 40.49 29.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PHE . . . 97.1 62.61 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.489 HG22 ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -147.54 148.56 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -82.79 118.36 23.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 76' ' ' SER . 66.5 mt -117.22 -39.11 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -43.0 -27.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -137.53 56.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.04 171.98 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.2 p -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -41.49 -36.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.4 -45.53 83.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -59.66 -54.1 50.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.18 -58.7 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 30.4 mtp180 -48.26 -23.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -91.23 -54.22 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.553 ' O ' ' CE1' ' A' ' 69' ' ' PHE . 71.5 mt -56.23 -29.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -89.77 -34.39 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.29 2.92 80.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.07 -173.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -92.0 -106.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' GLN . 6.6 m 52.56 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -46.78 -44.45 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 5.3 m -123.23 109.57 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.647 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -120.26 146.04 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -111.63 158.62 19.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' VAL . 16.0 mt -134.14 141.54 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 22' ' ' HIS . 26.6 tp -113.41 83.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 174.65 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' TYR . 42.4 tt0 -165.28 83.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLN . 10.9 t80 -36.34 131.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -125.34 112.85 25.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -75.0 54.55 3.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' PRO . 28.6 m-70 -165.3 43.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.94 73.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -125.72 93.29 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -92.45 116.33 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mt 59.33 166.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.0 p -118.59 134.66 54.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.8 p -98.92 133.52 43.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -175.95 81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.12 156.78 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 141.32 44.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.44 -57.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.27 121.06 2.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 151.02 39.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.6 t -111.07 144.65 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 87.2 p -90.9 150.05 21.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.461 HG21 ' OD1' ' A' ' 100' ' ' ASN . 7.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.83 107.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 2.4 mt-10 -40.8 159.13 0.16 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.08 150.18 37.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 19' ' ' GLU . 2.4 ptp180 -126.58 163.35 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.0 m80 -118.52 101.56 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.2 t -92.71 121.87 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -82.25 148.93 28.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.548 ' CG1' HG22 ' A' ' 54' ' ' ILE . 7.8 t -131.0 130.82 64.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.59 71.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.866 ' HD3' HG21 ' A' ' 54' ' ' ILE . 1.4 mmtt -54.45 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . 77.98 42.9 15.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 79.12 41.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.733 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -144.7 158.07 54.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.77 15.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 HD23 HG12 ' A' ' 34' ' ' ILE . 22.1 tp -87.36 -50.2 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 76.7 69.47 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.842 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -152.35 148.73 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -101.3 142.78 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.678 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -134.97 150.2 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -136.15 149.19 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -100.25 147.0 26.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.2 mm -100.88 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -132.59 140.28 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 62' ' ' TYR . 50.7 t -68.22 126.08 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.568 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -100.24 -20.02 16.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -175.22 165.72 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.842 HG23 HG22 ' A' ' 34' ' ' ILE . 3.2 p -150.3 100.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -44.83 131.05 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.585 HG22 ' CE1' ' A' ' 56' ' ' HIS . 49.3 t -84.6 129.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 98.93 -8.85 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' ILE . 3.9 m -89.55 166.86 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.866 HG21 ' HD3' ' A' ' 27' ' ' LYS . 46.3 mm -38.5 -62.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.84 -67.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.585 ' CE1' HG22 ' A' ' 51' ' ' VAL . 15.7 t60 -37.51 -57.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.47 -47.13 38.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -39.06 82.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.77 48.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.3 mt -96.21 146.95 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -135.7 169.86 16.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 6.3 t80 -74.13 151.47 40.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.517 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 92.05 -30.14 6.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.69 104.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.37 121.46 18.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.15 111.38 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.565 HD11 ' OE1' ' A' ' 98' ' ' GLN . 64.2 mt -81.79 -56.28 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.67 142.74 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.827 ' CD2' HG22 ' A' ' 85' ' ' ILE . 44.6 t80 -112.23 100.55 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.402 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 62.9 13.62 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.23 -45.1 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 85' ' ' ILE . 1.6 mt -44.84 158.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 7.7 t-20 -106.05 106.81 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.747 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.3 mm? -74.55 -27.36 60.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.36 -26.68 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.38 -27.8 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -56.71 135.23 55.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -87.42 170.85 11.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -58.92 -38.41 78.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 19.5 pt20 -69.7 -36.24 75.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 80' ' ' GLN . 37.3 mt-30 -77.24 -47.57 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -56.4 -41.77 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.97 -17.27 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -99.43 -54.92 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.827 HG22 ' CD2' ' A' ' 69' ' ' PHE . 14.5 mt -44.09 -47.94 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.545 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.1 pt -70.93 -32.7 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -90.48 41.7 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.89 -174.36 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.44 95.55 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.02 113.19 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -41.45 -52.73 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.8 m -127.68 123.79 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.28 147.34 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.3 m -108.51 165.18 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.7 143.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 20' ' ' PRO . 31.1 tp -112.22 90.19 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.62 175.4 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.565 ' OE1' HD11 ' A' ' 67' ' ' LEU . 47.4 tt0 -171.37 80.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 60.1 t80 -36.92 131.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.461 ' OD1' HG21 ' A' ' 17' ' ' VAL . 2.0 m-20 -127.6 115.94 21.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 2.0 mt-10 -49.87 107.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -39.21 153.27 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -74.93 145.63 31.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.606 ' O ' HD12 ' A' ' 96' ' ' LEU . 6.8 ptm180 -125.4 171.69 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.6 m80 -120.74 102.17 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -89.73 120.84 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -82.88 150.97 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.572 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.7 t -131.38 134.13 61.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 67.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.69 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 -65.45 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -168.31 35.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.48 158.82 74.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.62 36.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.707 HD23 ' CG1' ' A' ' 34' ' ' ILE . 11.2 tp -71.94 -60.38 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 59.41 2.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.098 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG1' HD23 ' A' ' 32' ' ' LEU . 1.1 pp -145.41 142.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -99.67 144.26 28.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.6 pp -134.47 154.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.54 148.44 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -102.32 147.02 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 mm -123.54 136.0 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -130.87 135.67 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.95 124.99 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -94.2 -22.73 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.19 169.58 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.676 HG23 HG22 ' A' ' 34' ' ' ILE . 2.4 p -150.58 118.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 51' ' ' VAL . 86.6 m -53.39 169.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.6 p -110.29 144.72 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.53 14.44 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ILE . 1.1 m -102.9 161.96 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.779 HG21 ' HD2' ' A' ' 27' ' ' LYS . 47.6 mm -38.55 -65.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.616 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -39.7 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 32.7 t-80 -41.28 -46.73 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.61 -42.64 97.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.549 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -59.86 -35.22 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 45.8 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.0 173.86 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.46 174.81 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 5.1 t80 -85.13 148.28 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 91.02 -18.39 51.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.84 105.63 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -72.62 125.95 28.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.59 107.41 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD11 ' OE1' ' A' ' 98' ' ' GLN . 60.0 mt -80.56 -48.03 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 16.7 mt-10 -151.91 133.24 14.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.632 ' CD1' HG22 ' A' ' 85' ' ' ILE . 41.0 t80 -104.28 105.06 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.408 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 58.67 17.03 4.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.4 -44.39 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.01 HG21 HD13 ' A' ' 85' ' ' ILE . 1.9 mt -40.41 145.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.41 100.66 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 2.9 mm? -69.36 -46.85 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 22.5 mtt180 -39.65 111.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 85.29 33.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -105.35 154.34 20.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 p -98.65 147.92 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.45 -40.98 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.475 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.3 pp0? -64.92 -32.84 74.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' THR . 11.8 mt-30 -72.19 -50.26 29.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -53.74 -56.59 16.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -49.8 -22.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 80' ' ' GLN . 15.5 mt -90.43 -52.43 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.01 HD13 HG21 ' A' ' 72' ' ' ILE . 77.5 mt -55.1 -51.41 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.571 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.5 pt -68.72 -39.52 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.2 42.83 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.443 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 2.8 mt-30 -102.99 -173.06 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -106.49 144.19 33.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.06 112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.332 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -46.53 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -130.79 124.29 31.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.505 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -135.06 148.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.0 m -107.12 168.37 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.44 138.14 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 21' ' ' ARG . 57.9 tp -108.4 88.62 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.84 176.53 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.543 ' OE1' HD11 ' A' ' 67' ' ' LEU . 41.0 tt0 -175.35 82.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -37.54 142.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -140.03 115.24 7.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG23 ' CD ' ' A' ' 101' ' ' PRO . 8.3 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -47.58 109.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 156.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.72 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -74.99 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.572 1.828 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -103.4 160.03 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.8 m80 -116.31 110.01 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.84 126.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -85.96 150.75 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 32' ' ' LEU . 12.8 t -133.07 132.41 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.83 73.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HG2' HG21 ' A' ' 54' ' ' ILE . 12.6 mmtt -55.83 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 -61.8 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 p -163.74 32.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 1.6 mm-40 -146.27 158.04 48.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 12.8 tp -74.1 -54.35 8.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.44 62.96 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.76 143.34 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -93.06 146.49 23.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.806 HD11 ' HG3' ' A' ' 83' ' ' ARG . 2.8 pp -135.63 159.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -145.35 149.18 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -100.83 149.31 23.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.615 HD11 ' C ' ' A' ' 78' ' ' THR . 14.3 mm -98.1 138.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 89.8 m-85 -127.34 138.45 53.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 44.3 t -65.38 127.92 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -99.67 -24.08 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.511 HG23 HG22 ' A' ' 34' ' ' ILE . 1.4 p -143.79 125.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -63.5 125.24 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 56' ' ' HIS . 53.4 t -75.39 125.21 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.87 -5.02 68.9 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -86.81 164.04 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.576 HG22 ' CG1' ' A' ' 25' ' ' VAL . 42.0 mm -38.14 -63.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.646 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -39.38 -65.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 t-80 -37.69 -52.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -55.09 -47.1 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.46 -43.37 93.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.06 49.47 0.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.73 152.58 20.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.57 172.0 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -83.59 153.54 24.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.576 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.85 -12.66 56.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.31 87.66 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.2 tt0 -54.53 119.01 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.03 113.45 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD11 ' OE1' ' A' ' 98' ' ' GLN . 66.8 mt -83.73 -53.48 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 14.1 mt-10 -143.53 144.17 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.915 ' CD2' HG22 ' A' ' 85' ' ' ILE . 49.7 t80 -116.89 91.35 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.419 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.3 t-20 69.48 8.86 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.96 -43.99 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.85 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -52.27 123.95 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -73.93 114.89 12.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.0 mm? -77.75 -28.46 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -55.17 -33.82 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -12.49 19.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -74.43 158.82 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.615 ' C ' HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -107.78 -171.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.406 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.626 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.3 pt-20 -75.76 -35.97 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -75.84 -44.19 42.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -44.11 83.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.07 79.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.806 ' HG3' HD11 ' A' ' 36' ' ' ILE . 31.4 mtp85 -69.31 -13.87 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.1 -54.7 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.915 HG22 ' CD2' ' A' ' 69' ' ' PHE . 15.0 mt -45.04 -48.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.9 pt -70.73 -29.65 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -89.47 32.42 4.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -93.08 -174.11 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -111.71 130.34 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.03 109.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -49.22 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 m -130.38 125.09 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.695 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.31 151.0 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -108.45 165.37 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.481 HG13 HD11 ' A' ' 93' ' ' ILE . 26.5 mt -139.45 140.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.794 HD13 ' CE1' ' A' ' 22' ' ' HIS . 51.6 tp -112.03 99.77 8.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.42 170.41 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.478 ' OE1' HD11 ' A' ' 67' ' ' LEU . 54.5 tt0 -164.07 77.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -40.42 134.67 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -126.88 114.13 22.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.543 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.8 mm-40 -78.37 101.33 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.9 mt-10 -38.58 157.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.0 138.23 22.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -112.91 169.84 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.551 ' CE1' HD13 ' A' ' 96' ' ' LEU . 6.5 m80 -124.67 82.14 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.637 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 21' ' ' ARG . 93.9 t -78.02 130.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -93.19 159.18 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.522 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 25.4 t -133.8 133.85 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.63 68.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.674 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -54.42 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.96 -68.84 2.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -164.42 39.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.85 162.12 56.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.678 HD23 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -89.11 -54.02 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.49 62.43 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.678 ' CG1' HD23 ' A' ' 32' ' ' LEU . 1.3 pt -142.13 145.29 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -107.97 142.1 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.579 HD13 HD12 ' A' ' 44' ' ' ILE . 2.5 pp -134.28 156.23 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 9.6 m -140.39 156.38 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -109.08 146.4 34.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.047 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.579 HD12 HD13 ' A' ' 36' ' ' ILE . 17.1 mm -121.02 132.5 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -124.72 138.57 54.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 41.4 t -67.05 124.67 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.51 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 1.4 t -95.12 -24.47 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.86 172.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 34' ' ' ILE . 2.3 p -154.26 120.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 m -57.7 149.71 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.683 HG23 ' NE2' ' A' ' 56' ' ' HIS . 4.3 p -93.63 134.81 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.21 -31.67 5.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -60.54 163.31 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.674 HG21 ' CD ' ' A' ' 27' ' ' LYS . 42.9 mm -39.52 -58.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.633 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -38.65 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.683 ' NE2' HG23 ' A' ' 51' ' ' VAL . 2.9 t-80 -38.82 -58.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -47.41 -44.82 24.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.54 -41.84 97.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 44.5 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 60' ' ' LEU . 18.7 mt -84.08 157.99 21.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.03 167.21 23.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.9 t80 -81.11 154.35 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.18 -5.35 63.36 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 94.11 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -59.84 120.82 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.31 102.25 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD11 ' OE1' ' A' ' 98' ' ' GLN . 34.1 mt -75.15 -47.43 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HB2' HD23 ' A' ' 96' ' ' LEU . 23.5 mt-10 -148.89 146.09 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.598 ' CD1' HG22 ' A' ' 85' ' ' ILE . 27.7 t80 -127.27 107.89 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.29 12.83 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.93 4.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.906 HG21 HD13 ' A' ' 85' ' ' ILE . 1.8 mt -115.38 119.46 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.588 HD22 HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -60.65 -47.26 87.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' SER . 6.3 mtp180 -38.1 116.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 86.04 26.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -100.85 137.58 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.4 p -83.06 141.85 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -40.76 -35.93 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.554 ' O ' HD12 ' A' ' 84' ' ' LEU . 4.8 mt-30 -67.0 -46.9 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -58.99 -54.96 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -49.32 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' ALA . 43.3 mtm180 -38.64 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 80' ' ' GLN . 5.3 mt -86.5 -55.97 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.906 HD13 HG21 ' A' ' 72' ' ' ILE . 64.0 mt -52.34 -50.37 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.517 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.2 pt -71.27 -40.99 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.05 44.64 3.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -103.16 -173.4 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -106.37 147.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.89 112.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -44.38 -48.79 9.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.0 m -131.44 126.11 34.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -136.35 149.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.4 m -107.83 165.47 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.57 148.16 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 22' ' ' HIS . 10.3 tp -120.78 91.5 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.3 177.6 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.578 ' OE1' HD11 ' A' ' 67' ' ' LEU . 50.6 tt0 -172.23 77.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -37.27 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -136.24 119.84 12.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -47.99 108.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.31 159.32 0.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.694 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -75.01 148.5 35.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.464 ' HG3' HG23 ' A' ' 23' ' ' VAL . 1.4 ptp180 -126.67 163.79 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.4 m80 -117.45 103.43 10.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' A' ' 21' ' ' ARG . 42.1 t -100.03 120.21 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -81.37 156.61 25.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.579 ' CG1' HG22 ' A' ' 54' ' ' ILE . 25.4 t -135.05 137.31 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -112.03 72.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.861 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -59.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.99 -61.14 0.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -170.71 34.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 3.9 mm-40 -138.94 159.21 67.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.947 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 13.3 tp -67.48 -59.81 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 87.92 57.23 1.95 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.899 HG22 HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -151.3 145.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -101.09 145.03 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.513 HD13 HD12 ' A' ' 44' ' ' ILE . 2.7 pp -136.67 154.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 4.3 m -134.05 152.3 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -102.37 146.79 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD12 HD13 ' A' ' 36' ' ' ILE . 21.4 mm -137.87 135.49 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 51.2 m-85 -137.97 133.25 33.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.32 134.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.05 -20.19 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 162.84 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -127.43 161.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.446 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 93.1 m -107.9 132.65 53.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.85 136.44 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.69 24.55 71.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -106.33 155.44 19.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.861 HG21 ' HD2' ' A' ' 27' ' ' LYS . 34.5 mm -40.14 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.947 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -39.74 -57.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -43.51 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ILE . 37.0 mt-30 -62.02 -41.88 98.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -60.32 -31.84 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.82 41.08 2.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -84.48 -177.24 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.12 166.0 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.8 t80 -75.74 151.41 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.99 -13.85 58.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.56 103.47 5.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 2.8 tt0 -67.65 131.13 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.3 123.57 35.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.59 -57.89 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -142.34 144.86 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.646 ' CD1' HG22 ' A' ' 85' ' ' ILE . 37.2 t80 -114.92 106.33 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.1 m-20 56.12 19.12 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.27 -36.66 3.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.899 HD13 HG23 ' A' ' 85' ' ' ILE . 1.2 mt -48.44 149.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -98.7 92.69 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 74' ' ' LEU . 26.4 mt -75.91 -24.63 55.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -22.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.11 51.12 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.54 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.457 ' C ' HD11 ' A' ' 44' ' ' ILE . 71.0 p -83.86 -179.69 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.6 pt-20 -74.36 -37.97 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -67.18 -44.91 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.91 -41.55 91.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -64.62 -40.84 96.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -65.07 -10.81 33.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.22 -54.04 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.899 HG23 HD13 ' A' ' 72' ' ' ILE . 14.7 mt -49.52 -39.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.578 ' HB ' HD22 ' A' ' 32' ' ' LEU . 4.8 pt -78.01 -31.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.44 25.74 10.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -91.84 -173.23 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -105.86 145.37 31.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.82 104.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 108.266 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.08 -43.19 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.6 m -136.11 121.96 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.458 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -130.88 144.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.7 m -106.33 154.85 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 83.9 mt -132.71 140.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 20' ' ' PRO . 58.4 tp -111.0 85.63 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.46 169.2 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -160.91 79.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -38.07 126.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -133.74 115.95 13.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.977 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.5 mm-40 -80.73 101.01 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 4.7 mm-40 -38.49 156.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.618 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.96 124.45 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -104.21 171.75 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.45 ' CE1' HD13 ' A' ' 96' ' ' LEU . 3.1 m80 -123.66 85.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.625 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.534 HG23 ' HG3' ' A' ' 21' ' ' ARG . 48.0 t -79.35 119.54 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -81.74 160.92 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 54' ' ' ILE . 27.2 t -135.28 136.2 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 mt-30 -111.72 68.99 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -56.47 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.18 -69.42 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.78 36.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -139.18 162.23 53.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.541 HD23 HG12 ' A' ' 34' ' ' ILE . 15.9 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 76.25 67.74 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.693 HD11 HD12 ' A' ' 86' ' ' ILE . 1.1 pt -152.53 161.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -115.72 143.04 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.463 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.7 pp -133.58 149.15 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -135.33 148.53 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -100.7 146.97 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.4 mm -125.11 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 82.4 m-85 -128.79 141.12 51.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.53 125.12 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.514 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -94.26 -22.7 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.48 172.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG23 HG22 ' A' ' 34' ' ' ILE . 2.1 p -150.84 113.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -55.58 149.68 13.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.59 HG23 ' NE2' ' A' ' 56' ' ' HIS . 4.0 p -93.51 135.74 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.92 -24.24 13.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -68.84 159.29 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.506 HG21 ' HD2' ' A' ' 27' ' ' LYS . 32.1 mm -40.11 -59.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.64 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.59 ' NE2' HG23 ' A' ' 51' ' ' VAL . 1.9 t60 -37.04 -57.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.66 -47.6 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.26 -34.58 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' HIS . . . 98.6 41.98 3.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.04 156.8 26.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -145.88 165.01 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 6.9 t80 -77.79 151.98 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.31 -13.31 55.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.7 tt0 -60.99 117.25 5.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -74.57 107.97 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 mt -76.54 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 42.9 mt-10 -146.47 121.62 10.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 12.5 t80 -94.34 114.36 26.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.96 14.68 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.68 37.38 5.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 85' ' ' ILE . 4.6 mt -116.14 125.0 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -56.96 97.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 69' ' ' PHE . 13.5 mt -94.72 -26.59 16.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -48.36 -23.59 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 m -127.88 53.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.27 159.88 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.457 ' C ' HD11 ' A' ' 44' ' ' ILE . 82.1 p -97.47 -176.75 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.5 pt-20 -75.62 -37.51 59.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.57 -47.41 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -50.4 -64.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -30.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 82' ' ' ALA . 8.1 mt -84.31 -52.7 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.749 HD13 HG21 ' A' ' 72' ' ' ILE . 49.8 mt -54.41 -55.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.693 HD12 HD11 ' A' ' 34' ' ' ILE . 3.0 pt -66.83 -36.4 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.61 41.78 3.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.79 -173.83 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -113.3 143.82 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 161.65 121.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -49.34 -50.2 40.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.8 m -129.27 122.9 30.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.37 144.14 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.9 m -103.74 156.29 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -132.42 141.03 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 21' ' ' ARG . 57.5 tp -109.73 90.7 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.56 161.99 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' TYR . 23.5 tt0 -159.36 75.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 20.8 t80 -37.78 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -145.92 118.12 5.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.957 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.54 HG13 ' NE2' ' A' ' 98' ' ' GLN . 14.6 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 5.9 mt-10 -41.12 107.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.3 mt-10 -37.59 156.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.98 131.07 13.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' HD22 ' A' ' 96' ' ' LEU . 5.3 ptm180 -105.52 169.4 8.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' CD2' ' A' ' 96' ' ' LEU . 1.9 m80 -118.62 107.56 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.37 120.24 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.518 ' HG2' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -82.48 154.05 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.605 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 27.5 t -134.23 135.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.63 72.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.946 ' HG3' HG21 ' A' ' 54' ' ' ILE . 14.8 mttt -64.07 -100.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.81 -70.23 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.04 32.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -145.76 157.79 50.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.554 ' CD1' HG11 ' A' ' 25' ' ' VAL . 13.3 tp -75.46 -54.01 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 64.59 1.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.688 HG22 HG23 ' A' ' 49' ' ' VAL . 1.3 pt -147.69 145.67 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -98.66 142.96 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 79' ' ' GLU . 2.6 pp -132.15 160.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -150.62 148.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -99.99 148.59 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.715 HD11 ' C ' ' A' ' 78' ' ' THR . 17.7 mm -127.05 132.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 65' ' ' GLN . 91.2 m-85 -119.76 146.82 45.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -76.32 121.89 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.474 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -94.31 -19.2 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.12 169.54 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.688 HG23 HG22 ' A' ' 34' ' ' ILE . 2.6 p -149.27 102.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -38.59 142.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.07 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 92.32 -5.31 77.85 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.7 167.46 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.946 HG21 ' HG3' ' A' ' 27' ' ' LYS . 46.4 mm -38.94 -64.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.522 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -37.99 -65.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 7.0 t60 -38.47 -52.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.89 -45.94 78.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.18 -45.01 94.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.66 48.8 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 60' ' ' LEU . 15.4 mt -91.47 152.95 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.89 172.74 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.1 t80 -86.53 154.67 20.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 82.88 -9.21 60.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.0 92.55 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 2.1 tt0 -59.21 133.32 55.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.33 122.88 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 96' ' ' LEU . 9.7 mt -97.99 -40.86 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LEU . 55.5 mt-10 -148.86 139.05 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.548 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.4 t80 -115.93 105.05 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 3.9 t-20 58.86 16.31 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.86 -32.2 4.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.888 HD13 HG23 ' A' ' 85' ' ' ILE . 2.6 mt -50.23 162.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.476 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 2.5 t30 -107.95 105.19 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 69' ' ' PHE . 4.0 mm? -79.68 -41.62 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.62 -29.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -120.17 45.51 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -125.13 -176.43 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.715 ' C ' HD11 ' A' ' 44' ' ' ILE . 43.6 p -135.31 -177.91 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.6 pt-20 -69.59 -35.46 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HG3' ' NE2' ' A' ' 81' ' ' GLN . 2.2 pt20 -70.25 -51.89 27.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.511 ' NE2' ' HG3' ' A' ' 80' ' ' GLN . 2.2 mp0 -56.36 -59.31 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . . . -42.6 -63.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -41.49 -35.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.09 -43.96 18.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.888 HG23 HD13 ' A' ' 72' ' ' ILE . 55.7 mt -58.11 -57.5 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 13.5 pt -64.39 -30.9 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.97 37.0 3.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -99.41 -174.23 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.1 OUTLIER -112.97 142.06 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 166.29 122.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -52.95 -48.62 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.7 m -132.95 123.18 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.733 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -133.33 152.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 24' ' ' LYS . 3.5 m -108.38 162.69 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.616 HG13 HD11 ' A' ' 93' ' ' ILE . 36.1 mt -139.99 141.19 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.732 HD11 HD12 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -110.85 113.78 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.641 ' N ' HD13 ' A' ' 96' ' ' LEU . . . -123.1 176.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.54 ' NE2' HG13 ' A' ' 17' ' ' VAL . 29.2 tt0 -171.83 93.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -43.25 138.19 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -126.7 113.56 22.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.51 106.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 159.69 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.543 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.01 155.6 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG3' HG23 ' A' ' 23' ' ' VAL . 2.5 ptp180 -132.2 157.11 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.751 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.4 m80 -114.41 102.79 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.469 HG23 ' HG3' ' A' ' 21' ' ' ARG . 43.3 t -97.63 125.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 158.43 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.5 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 23.7 t -133.11 134.32 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.79 68.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -57.19 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.01 -67.4 1.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.64 37.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -141.9 161.38 51.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.9 21.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 34' ' ' ILE . 17.8 tp -79.05 -55.13 5.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 78.48 68.12 1.53 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.894 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -153.97 150.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.75 150.3 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.06 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 79' ' ' GLU . 2.4 pp -141.26 153.44 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -139.79 149.26 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -102.03 147.03 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 18.8 mm -117.59 137.61 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 69.5 m-85 -127.14 143.96 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.03 129.95 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -103.37 -15.32 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.32 166.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.894 HG23 HG22 ' A' ' 34' ' ' ILE . 3.4 p -150.5 114.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.5 m -54.99 144.92 21.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -97.13 128.78 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 2.26 62.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ILE . 56.2 m -100.54 168.43 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.667 HG21 ' HD2' ' A' ' 27' ' ' LYS . 40.2 mm -39.44 -62.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.517 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.2 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -39.83 -49.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -57.62 -43.66 84.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -63.6 -37.21 86.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 54.71 0.82 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.1 mt -98.33 166.25 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -159.07 167.15 30.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.3 t80 -79.53 154.33 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.6 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.62 -12.03 60.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.99 97.64 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.3 tt0 -64.03 125.19 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.37 108.53 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 67' ' ' LEU . 23.2 mt -78.11 -55.02 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 3.6 mt-10 -144.88 139.98 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.829 ' CD1' HG22 ' A' ' 85' ' ' ILE . 47.1 t80 -111.54 102.56 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.413 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 57.88 17.8 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.44 -39.42 2.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.799 HD13 HG23 ' A' ' 85' ' ' ILE . 1.9 mt -54.12 129.69 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -80.25 114.56 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.3 mm? -81.29 -37.27 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -41.51 -34.96 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -99.33 -34.45 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.724 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -53.18 146.03 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.401 ' C ' HD11 ' A' ' 44' ' ' ILE . 67.1 p -94.23 -170.84 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.0 pt-20 -74.28 -37.83 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -72.28 -43.0 64.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.8 -40.44 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.25 99.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -63.45 -13.14 37.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.53 -54.89 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.829 HG22 ' CD1' ' A' ' 69' ' ' PHE . 17.7 mt -47.14 -50.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.6 pt -67.66 -35.41 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.84 44.52 3.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.19 -173.87 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.3 94.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.45 119.15 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.95 -51.28 9.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.8 m -132.54 125.58 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.749 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -134.43 152.3 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -109.62 162.36 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.444 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.557 HG13 HD11 ' A' ' 93' ' ' ILE . 72.4 mt -137.68 139.57 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 22' ' ' HIS . 56.8 tp -111.8 96.56 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.31 171.46 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -162.04 80.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -37.39 136.53 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -133.46 118.62 14.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' GLU . 3.0 mt-10 -80.04 101.45 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.47 151.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.707 ' HB3' HD11 ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.95 95.48 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.734 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.9 ptm85 -80.31 155.87 27.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CE1' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -104.91 89.23 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.549 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 60.2 t -70.69 123.56 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -85.51 157.06 20.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.852 HG11 ' CD1' ' A' ' 32' ' ' LEU . 6.8 t -134.32 131.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.38 69.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -53.08 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.44 -57.24 5.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -148.22 151.79 37.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.28 31.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.852 ' CD1' HG11 ' A' ' 25' ' ' VAL . 9.7 tp -66.66 -60.76 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.56 57.63 2.71 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.833 HG22 HG23 ' A' ' 49' ' ' VAL . 2.0 pt -138.35 140.51 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.67 150.68 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.666 HD13 HD12 ' A' ' 44' ' ' ILE . 2.6 pp -140.15 153.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG13 ' CB ' ' A' ' 47' ' ' SER . 2.4 m -136.8 148.82 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -100.41 145.69 27.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 36' ' ' ILE . 25.4 mm -118.85 132.35 68.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -127.59 136.9 52.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.53 126.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -103.44 -15.69 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.18 161.96 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.833 HG23 HG22 ' A' ' 34' ' ' ILE . 3.1 p -151.66 104.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 m -42.68 144.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.27 135.91 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 89.0 -30.13 5.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 167.98 10.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 43.7 mm -39.56 -57.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.744 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -37.33 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 4.1 t-80 -39.05 -55.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.644 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -51.46 -46.89 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.73 36.68 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.29 137.84 32.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -126.91 172.64 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 8.5 t80 -81.22 152.51 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.483 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.01 -16.87 44.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.18 114.67 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.32 123.96 28.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.09 127.1 34.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.882 HD12 HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -90.88 -56.37 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 mp0 -142.56 157.16 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.755 ' CD1' HG22 ' A' ' 85' ' ' ILE . 42.2 t80 -122.92 104.41 9.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 59.64 17.97 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.78 -32.41 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.693 HD13 HG23 ' A' ' 85' ' ' ILE . 4.8 mt -59.25 133.61 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -73.88 127.18 32.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 77' ' ' ALA . 7.7 mt -111.85 -33.2 6.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -43.51 -27.29 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -130.41 51.37 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HB3' HD23 ' A' ' 74' ' ' LEU . . . -118.83 157.03 28.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 p -94.53 153.56 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 3.7 pt-20 -51.59 -23.83 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -82.02 -57.39 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -32.62 68.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -68.82 -44.34 73.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.547 ' HA ' HD11 ' A' ' 86' ' ' ILE . 77.4 mtm180 -68.16 -8.0 34.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.759 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -98.92 -54.26 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.755 HG22 ' CD1' ' A' ' 69' ' ' PHE . 20.2 mt -51.48 -53.26 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.0 pt -60.37 -23.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 9.89 71.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 8.0 mm-40 -62.96 -174.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.54 119.01 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -170.37 123.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.57 -51.58 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.1 m -126.78 117.96 23.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.43 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -128.39 141.47 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -98.24 154.1 18.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.502 ' CD1' HG21 ' A' ' 25' ' ' VAL . 76.5 mt -134.89 143.45 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.4 107.31 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -111.54 164.64 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HB2' HD11 ' A' ' 67' ' ' LEU . 38.5 tt0 -155.62 78.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.24 125.31 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -122.99 115.01 29.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 17' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.45 105.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -37.74 155.81 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.589 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.04 141.21 26.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD22 ' A' ' 96' ' ' LEU . 14.0 ptm180 -110.61 163.92 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -114.22 95.11 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG23 ' HG3' ' A' ' 21' ' ' ARG . 75.6 t -86.05 120.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -86.17 153.16 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 54' ' ' ILE . 19.1 t -131.74 132.34 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.05 70.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.781 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -60.8 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.86 -67.27 2.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -159.85 40.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.22 157.1 57.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 HG12 ' A' ' 34' ' ' ILE . 14.2 tp -78.24 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.73 61.21 2.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.729 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -147.5 151.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -109.95 143.57 39.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.608 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -132.4 150.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.5 m -137.1 151.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -104.48 148.39 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 16.3 mm -127.6 141.16 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 77.1 m-85 -126.3 150.33 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 66' ' ' LEU . 54.8 t -77.61 128.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -99.71 -20.44 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 167.62 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.729 HG23 HG22 ' A' ' 34' ' ' ILE . 2.5 p -149.97 113.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -55.58 134.45 50.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 76.6 t -85.86 131.46 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.99 -14.64 64.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -82.73 165.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.781 HG21 ' HD2' ' A' ' 27' ' ' LYS . 32.3 mm -38.49 -59.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.84 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ALA . 11.8 t-80 -37.3 -56.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -49.57 -46.35 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.91 -44.53 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.57 46.32 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 60' ' ' LEU . 17.5 mt -85.83 153.99 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -144.22 163.98 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.9 t80 -80.24 154.88 27.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 76.82 -1.54 62.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 89.29 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.6 tt0 -48.8 133.11 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 46' ' ' VAL . 8.7 mt -88.86 113.92 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.876 HD12 ' CD1' ' A' ' 96' ' ' LEU . 15.3 mt -82.14 -71.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 19.5 mt-10 -134.73 137.81 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 54.7 t80 -106.06 99.14 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.432 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 58.09 17.57 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.86 -44.57 1.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.696 HG21 HD13 ' A' ' 85' ' ' ILE . 3.8 mt -50.78 129.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -82.04 120.29 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 69' ' ' PHE . 4.5 mm? -85.74 -40.25 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 2.5 mtp-105 -38.08 -35.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.23 57.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.31 173.36 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.3 p -124.16 149.45 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.456 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -44.82 -38.11 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.79 -38.56 86.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -77.57 -54.57 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -46.32 -41.78 13.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -65.58 -34.17 77.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' GLN . 13.0 mt -78.44 -39.6 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.696 HD13 HG21 ' A' ' 72' ' ' ILE . 41.9 mt -63.13 -64.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.581 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.4 pt -53.0 -24.72 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.23 15.82 61.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.7 mm-40 -66.06 -174.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.98 124.38 39.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.83 124.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.88 -53.79 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.2 m -130.44 122.22 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.61 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -130.31 147.55 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 m -108.4 158.12 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.458 HG13 HD11 ' A' ' 93' ' ' ILE . 11.8 mt -139.65 147.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.876 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.8 tm? -114.71 115.13 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -115.18 176.73 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -169.28 90.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -38.97 135.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -126.46 106.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.938 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.5 mt-10 -59.35 108.25 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' GLU . 6.3 mt-10 -37.01 154.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.99 148.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -128.11 164.11 23.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.0 m80 -115.15 99.76 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.24 123.75 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -86.75 152.97 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.666 HG11 ' CD1' ' A' ' 32' ' ' LEU . 8.4 t -133.68 131.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 71.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HE2' HD13 ' A' ' 32' ' ' LEU . 12.9 mmtt -55.83 -71.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.38 -59.02 4.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -165.93 34.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -147.24 153.56 44.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.19 10.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.666 ' CD1' HG11 ' A' ' 25' ' ' VAL . 12.5 tp -77.11 -53.97 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.32 59.67 3.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.648 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.4 pt -141.01 139.57 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -93.41 143.41 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.7 pp -136.26 146.84 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.796 HG13 ' HB3' ' A' ' 47' ' ' SER . 3.1 m -124.56 149.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -101.1 147.06 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -107.07 142.52 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -132.98 137.77 46.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.88 133.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.796 ' HB3' HG13 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -106.46 -20.77 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 169.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.554 HG23 HG22 ' A' ' 34' ' ' ILE . 1.7 p -147.12 119.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -57.07 135.08 56.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.43 129.2 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.71 -23.67 31.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 p -70.31 166.18 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.516 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 39.2 mm -40.75 -55.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.648 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -40.63 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -40.45 -42.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.35 -42.65 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 25' ' ' VAL . . . -60.54 -37.84 82.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.26 44.25 2.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.75 148.69 21.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.78 172.83 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 7.2 t80 -82.84 155.69 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.566 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.0 -10.29 60.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.37 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -74.98 125.34 28.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.1 116.19 23.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.4 mt -87.54 -51.7 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -138.34 153.09 48.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.6 ' CD2' HG22 ' A' ' 85' ' ' ILE . 60.4 t80 -126.62 96.13 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.37 11.11 8.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.09 -27.49 5.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.745 HG21 HD13 ' A' ' 85' ' ' ILE . 1.8 mt -60.58 141.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.69 100.22 11.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 74' ' ' LEU . 13.2 mt -82.04 -24.51 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -45.49 -27.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -129.8 62.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.98 155.12 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 p -97.09 147.4 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -41.28 8.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.647 ' O ' HD12 ' A' ' 84' ' ' LEU . 10.8 pt20 -64.33 -39.65 94.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.34 -47.77 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -50.76 -56.08 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HA ' HD11 ' A' ' 86' ' ' ILE . 96.4 mtt180 -50.83 -27.17 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 80' ' ' GLN . 6.4 mt -85.47 -56.1 3.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.745 HD13 HG21 ' A' ' 72' ' ' ILE . 62.3 mt -48.19 -41.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.4 pt -79.86 -35.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.18 35.95 3.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -98.22 -173.91 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -103.55 143.48 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.49 107.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.01 -46.9 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.8 m -132.07 127.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -139.04 146.39 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 m -106.87 157.55 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.424 HG13 HD11 ' A' ' 93' ' ' ILE . 6.4 mt -132.52 140.36 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.584 HD13 ' CE1' ' A' ' 22' ' ' HIS . 20.8 tp -111.3 83.22 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.69 175.86 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -169.45 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -37.52 127.29 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.554 ' OD1' HG21 ' A' ' 17' ' ' VAL . 1.3 t30 -134.47 118.7 13.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 17' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG21 ' OD1' ' A' ' 100' ' ' ASN . 8.5 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.81 105.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -40.92 155.76 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.748 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -74.99 131.71 14.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.859 ' O ' HD12 ' A' ' 96' ' ' LEU . 12.2 ptm180 -110.38 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -126.28 96.18 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -87.95 123.26 40.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -90.5 152.83 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.616 ' CG1' HG22 ' A' ' 54' ' ' ILE . 15.7 t -134.53 132.66 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -106.3 70.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -49.62 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.49 59.89 3.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -145.53 159.39 48.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 34' ' ' ILE . 21.3 tp -105.42 -46.94 4.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' C ' ' HG1' ' A' ' 50' ' ' THR . . . 72.65 66.0 2.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.35 143.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 t -99.49 145.18 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -134.24 157.98 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -149.11 148.54 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -101.26 146.66 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.414 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 20.6 mm -118.13 133.45 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 94.1 m-85 -121.35 144.71 48.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.51 ' CG2' HD21 ' A' ' 66' ' ' LEU . 94.4 t -74.89 123.0 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.531 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -95.4 -11.14 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.67 173.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.4 p -146.73 60.47 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.2 m 28.13 -139.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 50' ' ' THR . 13.4 t -161.1 116.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 73.24 4.9 65.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -79.94 166.02 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.616 HG22 ' CG1' ' A' ' 25' ' ' VAL . 37.3 mm -36.77 -58.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.586 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -46.55 -59.39 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.424 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 16.4 t-80 -47.15 -42.99 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -68.28 -30.99 70.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.02 47.99 1.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 60' ' ' LEU . 14.7 mt -94.11 -176.58 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.73 162.68 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 4.8 t80 -76.7 149.01 36.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.481 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.41 -11.49 67.8 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 105.65 7.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' OE1' HD23 ' A' ' 67' ' ' LEU . 1.4 tm0? -65.97 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.51 HD21 ' CG2' ' A' ' 46' ' ' VAL . 12.0 mt -90.98 96.08 10.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.439 HD23 ' OE1' ' A' ' 65' ' ' GLN . 69.4 mt -64.65 -57.62 8.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.14 148.12 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.767 ' HB2' HD11 ' A' ' 74' ' ' LEU . 49.0 t80 -109.1 99.45 8.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.585 ' ND2' ' CD1' ' A' ' 69' ' ' PHE . 15.7 p30 44.74 26.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 69' ' ' PHE . . . 97.56 55.66 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.02 ' CG2' HD13 ' A' ' 85' ' ' ILE . 1.4 mt -146.17 107.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.59 121.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 69' ' ' PHE . 18.0 mt -118.53 -42.37 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -45.49 -26.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 m -123.7 36.48 4.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.53 164.03 12.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.4 p -107.74 147.64 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -43.59 -42.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -40.86 93.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -70.56 -52.36 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -48.02 -58.27 4.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.4 mtt85 -48.97 -27.96 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.2 -51.95 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.02 HD13 ' CG2' ' A' ' 72' ' ' ILE . 65.9 mt -55.3 -42.83 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.549 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.6 pt -75.04 -32.05 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 36.02 3.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.95 -172.38 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.8 118.66 34.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -167.57 105.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.293 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . 87.7 m-20 -39.28 -43.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 11.8 m -135.95 112.16 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.644 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -118.45 144.26 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -109.09 157.5 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.7 mt -133.04 147.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.859 HD12 ' O ' ' A' ' 21' ' ' ARG . 48.9 tp -117.04 85.17 2.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.04 172.18 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 34.7 tt0 -169.54 80.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 52.6 t80 -36.67 136.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.421 ' OD1' HG21 ' A' ' 17' ' ' VAL . 4.7 m-20 -132.94 116.13 14.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 23.8 mp0 -75.05 102.37 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -36.22 153.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.643 ' HB3' HD11 ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.638 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -86.79 152.21 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.502 ' CE1' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -102.35 98.66 8.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' ILE . 97.7 t -84.84 128.31 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.77 162.83 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 20.6 t -137.83 141.72 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.32 70.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 54' ' ' ILE . 1.6 mptt -62.58 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.79 -59.12 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.69 35.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' CG ' HD11 ' A' ' 54' ' ' ILE . 1.2 pm0 -147.04 158.71 44.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.52 18.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 34' ' ' ILE . 19.7 tp -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 87.97 61.77 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.741 HG22 HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -155.46 155.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.9 t -104.84 141.56 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.587 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -133.91 152.94 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -136.78 150.19 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -98.38 145.99 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.601 HD11 ' C ' ' A' ' 78' ' ' THR . 8.7 mm -122.79 144.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -140.88 132.25 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 68.8 t -56.88 133.9 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -107.25 -18.23 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.15 157.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -129.8 154.2 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.4 m -104.75 119.38 38.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.6 t -69.07 133.46 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.89 45.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.03 160.89 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 27' ' ' LYS . 45.7 mm -37.73 -62.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.56 -68.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ALA . 48.8 t-80 -38.57 -50.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.34 -46.76 82.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -31.96 69.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.27 36.84 4.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -82.44 175.53 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.94 175.16 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.3 t80 -84.49 151.34 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.513 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.06 -5.93 81.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.79 114.53 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.65 113.7 16.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.96 127.3 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 HD22 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -95.85 -57.85 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 36.2 mt-10 -133.19 177.99 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' A' ' 85' ' ' ILE . 49.1 t80 -152.29 98.03 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.5 m-20 58.63 17.92 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.69 -30.56 4.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.671 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -62.29 158.39 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.415 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 1.9 t-20 -108.7 103.76 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 79.3 mt -84.26 -23.03 30.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -20.02 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ALA . 4.3 m -119.06 -36.67 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -42.86 164.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.601 ' C ' HD11 ' A' ' 44' ' ' ILE . 1.3 p -101.75 -167.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 4.6 pt-20 -83.45 -37.76 22.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.51 72.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -36.96 55.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.587 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -67.78 -41.77 82.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -65.04 -11.64 41.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.28 -54.65 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.671 HG23 HD13 ' A' ' 72' ' ' ILE . 15.7 mt -47.16 -47.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -69.44 -32.65 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 37.11 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.45 -173.82 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -103.42 146.96 27.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.84 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.263 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -48.09 -44.42 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.1 m -134.61 116.73 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -125.65 141.03 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.2 m -97.54 152.54 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' VAL . 89.2 mt -136.88 144.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.727 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -114.16 105.51 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -107.22 173.69 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 67' ' ' LEU . 37.9 tt0 -165.37 77.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.09 127.64 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -124.55 114.68 27.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' HD3' ' A' ' 101' ' ' PRO . 15.0 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.1 mt-10 -47.2 107.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 21.1 mt-10 -38.52 156.39 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.702 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.1 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 96' ' ' LEU . 9.4 ptm180 -94.52 171.44 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.619 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.7 m80 -117.26 88.48 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.499 HG11 HD21 ' A' ' 60' ' ' LEU . 54.1 t -73.01 121.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.76 ' HG2' HG23 ' A' ' 94' ' ' THR . 0.4 OUTLIER -87.42 160.31 18.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.571 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 3.0 t -140.82 146.31 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -124.2 54.66 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HG2' HG21 ' A' ' 54' ' ' ILE . 12.0 mttt -38.74 -66.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.16 -60.01 4.26 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -165.42 36.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -148.61 150.14 32.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.33 42.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD1' HG11 ' A' ' 25' ' ' VAL . 7.9 tp -55.99 -62.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.84 56.91 2.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.839 HG22 HG13 ' A' ' 49' ' ' VAL . 1.1 pp -143.78 132.95 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.59 148.89 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.547 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.3 pp -137.72 151.15 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.2 149.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -101.97 146.02 28.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 14.8 mm -116.3 139.83 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 52.2 m-85 -132.32 144.02 50.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 61.6 t -66.36 127.27 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.501 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.66 -24.75 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.73 175.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.839 HG13 HG22 ' A' ' 34' ' ' ILE . 1.5 t -115.38 -165.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.719 ' H ' HG12 ' A' ' 49' ' ' VAL . 1.2 m -119.0 -7.88 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' THR . 40.5 t 61.96 137.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.04 32.08 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -118.45 166.49 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.641 HG21 ' HG2' ' A' ' 27' ' ' LYS . 47.5 mm -37.72 -58.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.676 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -45.04 -64.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.4 t-80 -39.32 -46.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -61.25 -46.25 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.22 -17.16 51.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.53 6.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD21 HG11 ' A' ' 23' ' ' VAL . 81.0 mt -100.64 144.15 29.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.31 171.34 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 12.6 t80 -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.506 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.79 -31.81 4.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.34 101.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 8.4 tt0 -72.72 117.98 15.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.8 mt -72.69 106.63 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.686 HD11 ' OE1' ' A' ' 98' ' ' GLN . 59.3 mt -80.99 -50.92 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 28.5 mt-10 -149.43 137.69 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CD1' HG22 ' A' ' 85' ' ' ILE . 42.4 t80 -108.64 104.81 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.35 17.55 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 -45.15 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.685 HG21 HD13 ' A' ' 85' ' ' ILE . 2.2 mt -41.64 152.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -101.53 113.27 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.461 HD12 HG13 ' A' ' 44' ' ' ILE . 3.9 mm? -80.44 -40.44 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.73 -36.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -112.69 48.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -130.09 -177.31 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.449 ' C ' HD11 ' A' ' 44' ' ' ILE . 51.2 p -135.36 178.42 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.4 pt-20 -68.16 -36.7 80.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.556 ' CG ' ' NE2' ' A' ' 81' ' ' GLN . 2.7 pt20 -68.69 -41.06 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.556 ' NE2' ' CG ' ' A' ' 80' ' ' GLN . 2.0 mp0 -71.26 -53.87 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -45.93 -55.67 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -53.02 -26.26 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' GLN . 16.7 mt -86.6 -38.86 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.685 HD13 HG21 ' A' ' 72' ' ' ILE . 67.5 mt -65.57 -64.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -54.44 -22.07 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 12.69 69.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.6 mm-40 -61.77 -174.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.4 ' O ' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.52 117.2 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.2 m -175.4 118.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -45.93 -52.59 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 4.0 m -125.66 112.92 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -122.48 147.61 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.76 HG23 ' HG2' ' A' ' 24' ' ' LYS . 3.1 m -102.27 162.9 12.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.446 HD12 HG21 ' A' ' 25' ' ' VAL . 4.5 mt -141.01 142.83 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 20' ' ' PRO . 47.4 tp -112.07 88.29 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.02 174.58 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.686 ' OE1' HD11 ' A' ' 67' ' ' LEU . 64.6 tt0 -168.07 83.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -38.15 143.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -134.35 109.93 11.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLU . 4.6 mt-10 -43.52 107.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.2 mp0 -38.39 156.8 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.721 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.03 136.66 20.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.663 ' O ' HD12 ' A' ' 96' ' ' LEU . 5.0 ptm180 -118.8 169.56 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.561 ' CE1' HD13 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -116.94 116.46 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.65 118.73 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.01 157.1 28.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.1 t -134.33 134.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 mt-30 -108.76 68.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.47 7.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 50.08 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.777 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 6.6 mm-40 -147.19 162.32 33.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.79 12.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.8 tp -102.09 -45.95 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 67.65 65.02 2.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.615 HG22 HG23 ' A' ' 49' ' ' VAL . 1.2 pt -143.74 155.22 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.39 146.04 41.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -138.49 153.67 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.3 m -140.98 149.08 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -99.84 146.62 26.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 78' ' ' THR . 18.6 mm -129.14 135.82 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 24.4 m-85 -127.36 133.09 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.84 129.11 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -102.47 -11.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.003 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 174.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 34' ' ' ILE . 2.8 p -155.95 100.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' GLY . 26.4 m -42.09 150.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.692 HG23 ' NE2' ' A' ' 56' ' ' HIS . 3.2 p -98.5 138.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.79 -20.34 28.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -76.68 163.63 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.506 HG22 ' CG1' ' A' ' 25' ' ' VAL . 32.0 mm -40.11 -57.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.49 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.692 ' NE2' HG23 ' A' ' 51' ' ' VAL . 8.4 t-80 -38.94 -51.41 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.96 -45.5 78.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.12 -34.41 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.9 43.26 2.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.2 mt -86.33 150.54 24.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.9 166.56 25.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 11.0 t80 -77.73 154.47 32.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.533 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.38 -21.4 25.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 98.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.4 tt0 -65.8 121.5 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.41 128.26 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -101.12 -60.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -132.43 144.73 50.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CD1' HG22 ' A' ' 85' ' ' ILE . 18.2 t80 -118.95 110.39 17.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 49.13 23.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.38 -33.78 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.837 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -58.74 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -73.2 93.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 12.9 mt -57.96 -40.31 80.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -40.83 128.25 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 1.3 t 88.63 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -48.85 175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.672 ' O ' HD11 ' A' ' 44' ' ' ILE . 43.1 p -115.03 -161.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -87.93 -38.8 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.485 ' HG3' ' NE2' ' A' ' 81' ' ' GLN . 1.8 pt20 -64.9 -40.09 94.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' NE2' ' HG3' ' A' ' 80' ' ' GLN . 3.7 mp0 -71.05 -41.06 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -66.49 -39.08 88.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HA ' HD11 ' A' ' 86' ' ' ILE . 13.4 mtt180 -65.92 -9.87 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.8 -55.1 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.837 HG23 HD13 ' A' ' 72' ' ' ILE . 18.8 mt -49.27 -47.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 83' ' ' ARG . 1.9 pt -68.89 -33.39 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.23 40.87 2.92 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -105.91 -173.38 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -107.77 146.61 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.287 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.83 107.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.338 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -40.85 -48.15 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.3 m -133.03 123.78 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.545 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -129.19 146.48 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.421 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.7 m -103.05 158.98 15.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.3 mt -139.01 139.74 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 20' ' ' PRO . 28.9 tp -114.6 88.78 2.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.45 167.42 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' TYR . 39.0 tt0 -151.61 87.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLN . 27.7 t80 -37.07 111.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.68 111.7 35.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 4.0 mm-40 -51.24 108.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.4 pm0 -38.27 151.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -74.91 137.56 22.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.831 ' O ' HD12 ' A' ' 96' ' ' LEU . 13.1 ptm180 -118.2 172.55 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -119.02 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' ALA . 24.2 t -75.61 117.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.38 145.85 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.578 HG21 HD12 ' A' ' 95' ' ' ILE . 3.9 t -127.0 130.58 71.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.506 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 mt-30 -109.86 68.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.757 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.48 -85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.98 -62.74 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -167.76 34.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -138.08 159.14 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.83 30.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 86' ' ' ILE . 14.2 tp -71.7 -57.28 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 84.71 63.51 1.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 33' ' ' GLY . 1.0 OUTLIER -156.17 151.65 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 7.0 t -101.07 143.34 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.638 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -136.37 144.21 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -130.89 148.63 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -101.59 146.08 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.449 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.2 mm -118.42 137.59 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -130.92 135.06 47.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 28.9 t -62.95 128.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.95 -22.15 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 161.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 34' ' ' ILE . 1.4 t -123.99 157.28 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 97.1 m -99.22 165.57 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 t -102.07 146.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.35 34.16 17.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ILE . 84.6 p -114.62 157.04 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.757 HG21 ' CD ' ' A' ' 27' ' ' LYS . 31.2 mm -39.17 -54.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -51.25 -59.85 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -42.58 -34.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.13 -39.77 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -61.55 -17.05 53.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.32 38.24 18.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.9 162.17 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.89 169.22 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -75.46 152.9 37.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.582 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.42 -15.41 50.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.99 99.89 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.99 112.05 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HB3' HD12 ' A' ' 74' ' ' LEU . 29.2 mt -71.15 117.06 12.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.37 -62.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.9 mt-10 -139.74 138.42 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' CD1' ' A' ' 93' ' ' ILE . 11.6 t80 -107.98 111.2 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 93' ' ' ILE . 5.5 t-20 47.35 25.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.71 -35.36 4.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.746 HG21 HD13 ' A' ' 85' ' ' ILE . 2.8 mt -54.96 130.92 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.16 90.15 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 66' ' ' LEU . 10.9 mt -66.81 -33.89 76.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.69 -29.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 49.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.2 158.24 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -100.02 157.3 16.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -52.56 -38.65 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.2 -34.75 78.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.11 -38.98 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.638 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -64.82 -42.05 95.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -70.54 -6.87 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.39 -55.22 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.746 HD13 HG21 ' A' ' 72' ' ' ILE . 22.9 mt -47.5 -43.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.629 ' HB ' HD22 ' A' ' 32' ' ' LEU . 5.6 pt -70.55 -30.98 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -91.69 29.11 7.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HG3' HD12 ' A' ' 84' ' ' LEU . 14.4 mt-30 -99.65 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.365 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -82.96 -162.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 5.1 t 100.35 87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.46 -35.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m -140.55 102.51 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.568 ' CD1' ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -116.02 145.36 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.422 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.7 m -103.09 157.64 16.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.578 HD12 HG21 ' A' ' 25' ' ' VAL . 45.4 mt -132.27 146.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 21' ' ' ARG . 64.8 tp -112.42 99.4 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.17 160.83 15.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 31.9 tt0 -152.61 92.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -43.54 119.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.62 111.02 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -72.51 105.76 4.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -32.49 152.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.715 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.95 122.51 7.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.912 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.91 178.71 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CE1' HD23 ' A' ' 96' ' ' LEU . 9.4 m80 -129.93 81.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.98 119.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 152.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.552 ' CG1' HG22 ' A' ' 54' ' ' ILE . 9.6 t -132.74 132.88 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.25 74.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.843 ' HD3' HG21 ' A' ' 54' ' ' ILE . 3.0 mmtt -59.63 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.15 -52.06 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -177.98 36.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.36 155.72 60.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 12.5 tp -79.45 -54.89 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.72 64.39 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.787 HG22 HG22 ' A' ' 49' ' ' VAL . 1.1 pt -151.34 143.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 5.8 t -91.16 142.73 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.569 HD13 HD12 ' A' ' 44' ' ' ILE . 2.6 pp -139.0 150.54 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 47' ' ' SER . 3.5 m -134.52 149.54 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -97.78 148.36 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.569 HD12 HD13 ' A' ' 36' ' ' ILE . 12.0 mm -124.15 135.87 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 0.723 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 31.2 m-85 -127.47 138.48 52.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 91.0 t -63.29 131.39 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.523 ' HB2' HG13 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -109.84 -16.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.026 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -178.91 164.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.787 HG22 HG22 ' A' ' 34' ' ' ILE . 1.3 t -135.43 155.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.415 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 93.7 m -104.0 121.12 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.91 130.93 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -22.32 19.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 50' ' ' THR . 1.3 p -68.25 160.08 29.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.747 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.843 HG21 ' HD3' ' A' ' 27' ' ' LYS . 37.8 mm -40.54 -56.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -40.6 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ALA . 32.9 t-80 -38.51 -49.14 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.564 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -53.49 -48.24 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -62.24 -36.38 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 51.55 1.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.0 158.65 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -143.63 158.79 43.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.4 t80 -79.25 156.7 28.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.604 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 89.21 -33.11 4.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -58.91 145.53 41.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.0 tt0 -105.8 133.25 50.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.492 HD22 ' CG2' ' A' ' 95' ' ' ILE . 16.5 mt -99.3 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.822 HD12 HD11 ' A' ' 96' ' ' LEU . 11.0 mt -88.18 -44.2 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -139.62 168.21 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CD1' HG22 ' A' ' 85' ' ' ILE . 39.4 t80 -143.08 101.68 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.6 t-20 59.45 16.71 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.01 -26.16 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.933 HD13 HG23 ' A' ' 85' ' ' ILE . 2.0 mt -58.07 157.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.75 97.52 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.1 mt -77.33 -41.6 39.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -124.68 52.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -131.97 163.42 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p -108.51 155.47 20.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -47.16 -37.3 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.5 -56.42 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -45.35 84.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.55 87.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -63.9 -11.96 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.44 -54.53 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.933 HG23 HD13 ' A' ' 72' ' ' ILE . 15.7 mt -47.23 -48.34 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.545 HG22 ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -70.28 -30.88 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 36.84 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -105.83 -174.36 2.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -102.22 148.24 25.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.79 106.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.39 -46.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.4 m -134.99 122.01 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -131.03 144.89 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -105.26 170.48 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.492 ' CG2' HD22 ' A' ' 66' ' ' LEU . 79.3 mt -145.54 140.31 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 21' ' ' ARG . 1.2 tm? -105.31 116.41 31.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.599 ' N ' HD13 ' A' ' 96' ' ' LEU . . . -127.77 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 99' ' ' TYR . 33.1 tt0 -140.88 48.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 2.7 t80 35.05 -156.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 5.1 p-10 159.68 79.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG23 ' CD ' ' A' ' 101' ' ' PRO . 9.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.88 107.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.14 151.27 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.754 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.0 128.73 11.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.713 ' O ' HD22 ' A' ' 96' ' ' LEU . 4.5 ptp85 -105.57 168.31 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -117.44 106.39 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' A' ' 21' ' ' ARG . 49.7 t -100.55 116.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.72 158.79 31.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 33.0 t -133.93 136.47 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.58 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.3 mt-30 -111.44 71.65 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.791 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -62.79 -84.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 54.65 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.69 43.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.0 mp0 -144.31 157.38 56.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 13.7 tp -86.74 -55.91 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 83.03 62.94 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.825 HG22 HG22 ' A' ' 49' ' ' VAL . 1.1 pt -153.67 148.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 3.7 t -98.54 141.96 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -132.41 155.49 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 5.3 m -142.24 153.6 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -112.27 147.34 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.702 HG22 HD12 ' A' ' 66' ' ' LEU . 19.2 mm -123.16 137.73 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 37' ' ' VAL . 70.5 m-85 -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 50.3 t -59.53 130.98 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.485 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -103.26 -20.64 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -178.22 166.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 34' ' ' ILE . 1.4 t -134.37 153.97 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.6 m -99.5 150.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -94.01 144.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.04 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 159.25 15.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.791 HG21 ' CD ' ' A' ' 27' ' ' LYS . 39.1 mm -40.76 -64.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.648 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -37.28 -63.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.2 t60 -39.44 -51.36 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -61.32 -42.19 98.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.07 -29.55 67.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.1 46.02 3.7 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.44 168.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.36 165.04 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.9 t80 -83.16 156.85 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.63 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.29 -6.2 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.96 102.16 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -53.75 130.01 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.702 HD12 HG22 ' A' ' 44' ' ' ILE . 49.3 mt -89.1 107.04 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.874 HD12 ' CD1' ' A' ' 96' ' ' LEU . 17.6 mt -77.09 -74.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -132.31 155.72 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 74' ' ' LEU . 43.3 t80 -124.87 104.54 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.53 13.58 7.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.14 19.29 63.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.607 HG21 HG21 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -80.97 6.99 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 53.68 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 69' ' ' PHE . 3.4 mt -93.02 -21.9 19.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -45.46 -25.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' LEU . 29.1 t -126.74 60.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.755 ' HB3' HD23 ' A' ' 74' ' ' LEU . . . -139.79 161.35 37.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.487 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 41.1 p -102.42 179.28 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.0 pt-20 -70.0 -37.33 75.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.08 -39.97 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.487 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -71.61 -52.05 20.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -46.35 -57.3 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.425 ' HA ' HD11 ' A' ' 86' ' ' ILE . 11.9 mtp180 -48.08 -31.92 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' GLY . 21.6 mt -82.61 -57.72 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.656 HG22 ' CD1' ' A' ' 69' ' ' PHE . 58.4 mt -43.21 -57.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 83' ' ' ARG . 1.6 pt -62.31 -30.17 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -87.94 36.67 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.82 -174.12 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -115.85 118.11 32.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.3 m -168.9 116.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -46.27 -52.52 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 79.3 m -130.28 127.2 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.86 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.9 m -98.18 155.33 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 25' ' ' VAL . 55.8 mt -136.99 148.13 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.874 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 tm? -116.94 114.72 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -112.45 177.53 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 45.9 tt0 -173.68 79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 24.0 t80 -37.17 130.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -115.09 109.14 47.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.554 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.97 101.96 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.71 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.99 143.64 29.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD22 ' A' ' 96' ' ' LEU . 3.0 ptm180 -122.86 166.58 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.82 105.28 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 58' ' ' ALA . 16.2 t -97.59 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 160.09 15.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.655 HG13 HG22 ' A' ' 54' ' ' ILE . 13.5 t -136.35 148.74 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -127.49 53.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -37.46 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.59 55.94 3.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.07 42.08 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.9 mt-10 -142.63 156.66 63.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.88 30.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD23 HG12 ' A' ' 34' ' ' ILE . 21.9 tp -85.62 -34.89 21.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.25 68.26 1.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 86' ' ' ILE . 1.1 pt -151.16 152.66 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -109.25 141.39 41.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -133.83 151.15 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -138.97 148.71 23.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -100.64 146.23 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 mm -101.77 139.69 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 70.4 m-85 -132.41 141.1 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.07 127.9 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -98.62 -22.28 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tttt 179.74 172.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 34' ' ' ILE . 1.5 p -152.75 140.52 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 m -102.58 157.68 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -90.26 158.18 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 55.53 17.48 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.573 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 1.1 m -104.95 12.23 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.655 HG22 HG13 ' A' ' 25' ' ' VAL . 5.8 mm 85.96 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -51.14 -66.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -45.87 -49.79 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.55 -39.46 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.674 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -68.21 -29.49 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 55.22 1.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.47 143.72 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.91 172.77 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 8.4 t80 -84.48 155.75 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.972 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.572 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.95 -13.18 57.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.16 115.04 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 tt0 -69.15 125.54 26.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.78 91.23 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.888 HD12 ' CD1' ' A' ' 96' ' ' LEU . 30.1 mt -57.86 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 5.1 mt-10 -126.26 169.06 13.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 53.8 t80 -131.74 99.68 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.8 t-20 63.92 14.32 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 68' ' ' GLU . . . 118.71 -16.67 11.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.879 HG21 HG21 ' A' ' 85' ' ' ILE . 3.9 mt -69.61 134.54 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -83.21 106.62 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.13 -21.8 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -52.82 -24.89 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.2 m -122.02 44.76 2.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.2 -170.94 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 35.5 p -127.41 -171.43 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.5 pt-20 -80.53 -37.25 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.551 ' HG3' HE21 ' A' ' 81' ' ' GLN . 1.5 pt20 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.551 HE21 ' HG3' ' A' ' 80' ' ' GLN . 1.9 mp0 -75.97 -46.32 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.613 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -48.39 -55.4 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD11 ' A' ' 86' ' ' ILE . 9.9 mtp-105 -55.94 -23.87 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.18 -40.51 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.879 HG21 HG21 ' A' ' 72' ' ' ILE . 80.1 mt -67.65 -47.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 34' ' ' ILE . 4.9 pt -67.58 -21.57 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.92 12.15 70.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 24.9 mm-40 -56.77 178.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -112.63 133.05 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 165.89 112.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.299 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -43.22 -49.43 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.4 m -127.04 121.8 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.737 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.43 153.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.9 m -109.52 159.28 17.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.609 HG13 HD11 ' A' ' 93' ' ' ILE . 8.4 mt -137.16 153.9 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.888 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 tm? -118.13 116.39 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -116.39 177.76 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -174.27 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -39.9 125.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -123.85 106.82 31.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.3 mt-10 -79.54 101.42 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -36.98 154.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 129.31 12.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 96' ' ' LEU . 1.9 ptm85 -106.69 174.99 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.868 ' CE1' HD13 ' A' ' 96' ' ' LEU . 9.5 m80 -123.42 91.82 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 39.0 t -77.68 114.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.665 ' HA ' HG23 ' A' ' 94' ' ' THR . 12.5 tttt -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.61 ' CG1' HG22 ' A' ' 54' ' ' ILE . 5.0 t -134.0 152.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -131.01 51.51 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.869 ' HG3' HG21 ' A' ' 54' ' ' ILE . 1.2 mtpt -40.1 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.76 -99.37 2.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.98 28.65 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -147.03 154.84 47.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.53 9.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.558 HD23 HG12 ' A' ' 34' ' ' ILE . 33.8 tp -79.0 -50.03 11.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.59 68.25 1.54 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.565 HG22 HG23 ' A' ' 49' ' ' VAL . 1.2 pt -149.33 159.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -115.86 142.74 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -134.83 151.1 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -137.93 149.42 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -98.98 146.13 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.7 mm -113.87 139.1 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 75.2 m-85 -131.02 143.57 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.3 t -68.0 127.26 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.497 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.89 -26.34 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.58 168.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 34' ' ' ILE . 2.1 p -149.26 125.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.7 m -57.12 157.26 6.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.513 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.8 t -99.52 127.58 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 87.53 -12.19 63.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ILE . 94.8 p -72.39 160.31 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.869 HG21 ' HG3' ' A' ' 27' ' ' LYS . 33.8 mm -37.66 -54.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -47.72 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 1.8 t-80 -39.15 -45.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.54 -46.52 87.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.7 -40.59 92.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 49.56 0.86 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.28 136.19 34.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.57 169.86 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.8 t80 -81.48 151.07 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.547 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.87 -16.85 49.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 91.11 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -58.31 126.61 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' HD13 ' A' ' 74' ' ' LEU . 6.9 mt -88.18 105.82 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' OE1' ' A' ' 98' ' ' GLN . 94.1 mt -74.21 -54.49 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 142.11 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.736 ' HB2' HD11 ' A' ' 74' ' ' LEU . 50.7 t80 -108.66 104.54 13.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 69' ' ' PHE . 17.8 p30 40.49 29.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PHE . . . 97.1 62.61 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.008 HG21 HD13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -147.54 148.56 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -82.79 118.36 23.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' A' ' 69' ' ' PHE . 66.5 mt -117.22 -39.11 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -43.0 -27.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -137.53 56.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.04 171.98 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.2 p -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -41.49 -36.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -65.4 -45.53 83.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -59.66 -54.1 50.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 86' ' ' ILE . . . -51.18 -58.7 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.488 ' HA ' HD11 ' A' ' 86' ' ' ILE . 30.4 mtp180 -48.26 -23.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -91.23 -54.22 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.008 HD13 HG21 ' A' ' 72' ' ' ILE . 71.5 mt -56.23 -29.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -89.77 -34.39 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.29 2.92 80.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.07 -173.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -92.0 -106.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' GLN . 6.6 m 52.56 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -46.78 -44.45 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.499 HG22 ' HE2' ' A' ' 24' ' ' LYS . 5.3 m -123.23 109.57 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.653 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.26 146.04 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.665 HG23 ' HA ' ' A' ' 24' ' ' LYS . 1.4 m -111.63 158.62 19.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' VAL . 16.0 mt -134.14 141.54 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.868 HD13 ' CE1' ' A' ' 22' ' ' HIS . 26.6 tp -113.41 83.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 174.65 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 67' ' ' LEU . 42.4 tt0 -165.28 83.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLN . 10.9 t80 -36.34 131.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -125.34 112.85 25.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -168.05 154.71 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -140.64 -59.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.09 148.04 6.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.31 160.31 6.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.773 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 p -135.43 165.66 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 159.7 27.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.56 -162.07 9.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -161.71 109.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.77 120.18 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 170.23 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -82.12 72.17 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.3 145.84 49.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -50.1 148.73 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 -19.32 18.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER 68.17 -63.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.461 HG21 ' OD1' ' A' ' 100' ' ' ASN . 7.4 p -146.07 146.6 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.83 107.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 2.4 mt-10 -40.8 159.13 0.16 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.08 150.18 37.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 19' ' ' GLU . 2.4 ptp180 -126.58 163.35 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.0 m80 -118.52 101.56 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.2 t -92.71 121.87 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -82.25 148.93 28.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.548 ' CG1' HG22 ' A' ' 54' ' ' ILE . 7.8 t -131.0 130.82 64.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.59 71.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.866 ' HD3' HG21 ' A' ' 54' ' ' ILE . 1.4 mmtt -54.45 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . 77.98 42.9 15.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 79.12 41.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.733 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -144.7 158.07 54.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.77 15.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 HD23 HG12 ' A' ' 34' ' ' ILE . 22.1 tp -87.36 -50.2 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 76.7 69.47 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.842 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -152.35 148.73 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -101.3 142.78 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.678 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -134.97 150.2 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -136.15 149.19 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -100.25 147.0 26.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.83 149.37 16.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.38 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.36 -136.08 3.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.19 -148.23 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.2 mm -100.88 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -132.59 140.28 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 62' ' ' TYR . 50.7 t -68.22 126.08 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.568 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -100.24 -20.02 16.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -175.22 165.72 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.842 HG23 HG22 ' A' ' 34' ' ' ILE . 3.2 p -150.3 100.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -44.83 131.05 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.585 HG22 ' CE1' ' A' ' 56' ' ' HIS . 49.3 t -84.6 129.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 98.93 -8.85 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' ILE . 3.9 m -89.55 166.86 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.866 HG21 ' HD3' ' A' ' 27' ' ' LYS . 46.3 mm -38.5 -62.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.84 -67.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.585 ' CE1' HG22 ' A' ' 51' ' ' VAL . 15.7 t60 -37.51 -57.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.47 -47.13 38.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -39.06 82.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.77 48.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.3 mt -96.21 146.95 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -135.7 169.86 16.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 6.3 t80 -74.13 151.47 40.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.517 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 92.05 -30.14 6.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.69 104.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.37 121.46 18.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.15 111.38 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.565 HD11 ' OE1' ' A' ' 98' ' ' GLN . 64.2 mt -81.79 -56.28 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.67 142.74 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.827 ' CD2' HG22 ' A' ' 85' ' ' ILE . 44.6 t80 -112.23 100.55 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 62.9 13.62 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.23 -45.1 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 85' ' ' ILE . 1.6 mt -44.84 158.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 7.7 t-20 -106.05 106.81 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.747 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.3 mm? -74.55 -27.36 60.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.36 -26.68 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.38 -27.8 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -56.71 135.23 55.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -87.42 170.85 11.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -58.92 -38.41 78.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 19.5 pt20 -69.7 -36.24 75.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 80' ' ' GLN . 37.3 mt-30 -77.24 -47.57 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -56.4 -41.77 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.97 -17.27 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -99.43 -54.92 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.827 HG22 ' CD2' ' A' ' 69' ' ' PHE . 14.5 mt -44.09 -47.94 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.545 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.1 pt -70.93 -32.7 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -90.48 41.7 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.89 -174.36 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.44 95.55 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.02 113.19 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -41.45 -52.73 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.8 m -127.68 123.79 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.28 147.34 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.3 m -108.51 165.18 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.7 143.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 20' ' ' PRO . 31.1 tp -112.22 90.19 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.62 175.4 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.565 ' OE1' HD11 ' A' ' 67' ' ' LEU . 47.4 tt0 -171.37 80.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 60.1 t80 -36.92 131.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.461 ' OD1' HG21 ' A' ' 17' ' ' VAL . 2.0 m-20 -127.6 115.94 21.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.6 3.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -159.46 55.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.639 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' ' 103' ' ' VAL . 9.0 p -164.61 63.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -111.42 82.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -129.92 171.36 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.4 149.85 13.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -157.33 158.85 36.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.75 151.51 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 171.18 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.614 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -80.87 153.53 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -77.79 111.73 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.85 163.59 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.86 -145.68 7.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.64 5.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -110.44 172.59 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m 48.2 81.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.043 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.09 93.89 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.61 169.94 17.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.68 -112.17 3.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.56 132.38 17.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -115.62 165.32 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.03 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.5 101.91 2.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.16 122.2 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -157.13 172.02 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.59 129.76 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.61 -61.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -175.48 166.44 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.67 119.95 57.17 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.05 -16.69 19.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.599 ' CD2' HG12 ' A' ' 17' ' ' VAL . 33.1 p90 -160.64 -42.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -173.05 155.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 2.0 mt-10 -49.87 107.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -39.21 153.27 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -74.93 145.63 31.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.606 ' O ' HD12 ' A' ' 96' ' ' LEU . 6.8 ptm180 -125.4 171.69 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.6 m80 -120.74 102.17 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -89.73 120.84 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -82.88 150.97 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.572 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.7 t -131.38 134.13 61.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 67.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.69 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 -65.45 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -168.31 35.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.48 158.82 74.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.62 36.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.707 HD23 ' CG1' ' A' ' 34' ' ' ILE . 11.2 tp -71.94 -60.38 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 59.41 2.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.098 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG1' HD23 ' A' ' 32' ' ' LEU . 1.1 pp -145.41 142.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -99.67 144.26 28.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.6 pp -134.47 154.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.54 148.44 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -102.32 147.02 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.39 15.97 60.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 73.55 -66.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.774 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.68 79.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.08 153.48 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.75 150.83 17.83 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 mm -123.54 136.0 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' CD2' HG21 ' A' ' 103' ' ' VAL . 85.1 m-85 -130.87 135.67 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.95 124.99 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -94.2 -22.73 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.19 169.58 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.676 HG23 HG22 ' A' ' 34' ' ' ILE . 2.4 p -150.58 118.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 51' ' ' VAL . 86.6 m -53.39 169.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.6 p -110.29 144.72 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.53 14.44 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ILE . 1.1 m -102.9 161.96 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.779 HG21 ' HD2' ' A' ' 27' ' ' LYS . 47.6 mm -38.55 -65.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.616 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -39.7 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 32.7 t-80 -41.28 -46.73 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.61 -42.64 97.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.549 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -59.86 -35.22 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 45.8 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.0 173.86 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.46 174.81 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 5.1 t80 -85.13 148.28 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 91.02 -18.39 51.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.84 105.63 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -72.62 125.95 28.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.59 107.41 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD11 ' OE1' ' A' ' 98' ' ' GLN . 60.0 mt -80.56 -48.03 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 16.7 mt-10 -151.91 133.24 14.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.632 ' CD1' HG22 ' A' ' 85' ' ' ILE . 41.0 t80 -104.28 105.06 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 58.67 17.03 4.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.4 -44.39 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.01 HG21 HD13 ' A' ' 85' ' ' ILE . 1.9 mt -40.41 145.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.41 100.66 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 2.9 mm? -69.36 -46.85 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 22.5 mtt180 -39.65 111.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 85.29 33.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -105.35 154.34 20.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 p -98.65 147.92 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.45 -40.98 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.475 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.3 pp0? -64.92 -32.84 74.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' THR . 11.8 mt-30 -72.19 -50.26 29.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -53.74 -56.59 16.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -49.8 -22.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 80' ' ' GLN . 15.5 mt -90.43 -52.43 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.01 HD13 HG21 ' A' ' 72' ' ' ILE . 77.5 mt -55.1 -51.41 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.571 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.5 pt -68.72 -39.52 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.2 42.83 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.443 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 2.8 mt-30 -102.99 -173.06 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -106.49 144.19 33.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.06 112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.332 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -46.53 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -130.79 124.29 31.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.505 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -135.06 148.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.0 m -107.12 168.37 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.44 138.14 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 21' ' ' ARG . 57.9 tp -108.4 88.62 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.84 176.53 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.543 ' OE1' HD11 ' A' ' 67' ' ' LEU . 41.0 tt0 -175.35 82.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -37.54 142.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.488 ' O ' HG12 ' A' ' 103' ' ' VAL . 35.8 t-20 -140.03 115.24 7.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 54.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.53 51.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 103' ' ' VAL . 1.4 p -158.52 71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.99 -72.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.534 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.02 91.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.04 -67.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.35 165.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.56 88.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.7 66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.4 m -118.21 -59.56 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.35 168.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.7 p -102.72 111.61 24.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.8 113.98 3.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 144.59 30.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.49 -57.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -55.7 -58.43 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -92.02 109.5 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -152.26 160.05 43.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.02 88.14 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -178.15 115.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.47 166.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.053 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.19 128.91 2.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.27 158.11 18.32 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -157.4 103.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -141.75 131.09 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -131.8 112.45 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 156.16 16.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.47 116.34 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -147.89 148.48 30.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.04 -20.47 16.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' PRO . 33.5 m-85 56.84 150.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG23 ' CD ' ' A' ' 101' ' ' PRO . 8.3 p -151.8 159.82 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -47.58 109.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 156.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.72 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -74.99 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.572 1.828 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -103.4 160.03 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.8 m80 -116.31 110.01 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.84 126.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -85.96 150.75 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 32' ' ' LEU . 12.8 t -133.07 132.41 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.83 73.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HG2' HG21 ' A' ' 54' ' ' ILE . 12.6 mmtt -55.83 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 -61.8 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 p -163.74 32.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 1.6 mm-40 -146.27 158.04 48.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 12.8 tp -74.1 -54.35 8.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.44 62.96 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.76 143.34 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -93.06 146.49 23.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.806 HD11 ' HG3' ' A' ' 83' ' ' ARG . 2.8 pp -135.63 159.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -145.35 149.18 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -100.83 149.31 23.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.07 -174.21 14.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 70.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttt 62.75 44.79 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.35 -0.15 16.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.58 -169.12 25.68 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.615 HD11 ' C ' ' A' ' 78' ' ' THR . 14.3 mm -98.1 138.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 89.8 m-85 -127.34 138.45 53.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 44.3 t -65.38 127.92 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -99.67 -24.08 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.511 HG23 HG22 ' A' ' 34' ' ' ILE . 1.4 p -143.79 125.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -63.5 125.24 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 56' ' ' HIS . 53.4 t -75.39 125.21 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.87 -5.02 68.9 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -86.81 164.04 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.576 HG22 ' CG1' ' A' ' 25' ' ' VAL . 42.0 mm -38.14 -63.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.646 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -39.38 -65.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 t-80 -37.69 -52.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -55.09 -47.1 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.46 -43.37 93.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.06 49.47 0.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.73 152.58 20.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.57 172.0 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -83.59 153.54 24.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.576 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.85 -12.66 56.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.31 87.66 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.2 tt0 -54.53 119.01 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.03 113.45 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD11 ' OE1' ' A' ' 98' ' ' GLN . 66.8 mt -83.73 -53.48 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 14.1 mt-10 -143.53 144.17 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.915 ' CD2' HG22 ' A' ' 85' ' ' ILE . 49.7 t80 -116.89 91.35 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.3 t-20 69.48 8.86 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.96 -43.99 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.85 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -52.27 123.95 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -73.93 114.89 12.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.0 mm? -77.75 -28.46 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -55.17 -33.82 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -12.49 19.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -74.43 158.82 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.615 ' C ' HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -107.78 -171.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.406 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.626 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.3 pt-20 -75.76 -35.97 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -75.84 -44.19 42.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -44.11 83.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.07 79.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.806 ' HG3' HD11 ' A' ' 36' ' ' ILE . 31.4 mtp85 -69.31 -13.87 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.1 -54.7 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.915 HG22 ' CD2' ' A' ' 69' ' ' PHE . 15.0 mt -45.04 -48.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.9 pt -70.73 -29.65 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -89.47 32.42 4.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -93.08 -174.11 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -111.71 130.34 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.03 109.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -49.22 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 m -130.38 125.09 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.695 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.31 151.0 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -108.45 165.37 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.481 HG13 HD11 ' A' ' 93' ' ' ILE . 26.5 mt -139.45 140.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.794 HD13 ' CE1' ' A' ' 22' ' ' HIS . 51.6 tp -112.03 99.77 8.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.42 170.41 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.478 ' OE1' HD11 ' A' ' 67' ' ' LEU . 54.5 tt0 -164.07 77.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -40.42 134.67 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -126.88 114.13 22.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.543 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.06 54.56 3.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.39 60.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.7 t -150.56 129.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -175.41 81.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.89 174.84 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mt 58.46 168.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.36 -61.81 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.7 t -174.11 161.24 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -179.85 90.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.635 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -149.56 161.05 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.99 104.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.6 m -82.12 163.97 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.33 88.98 0.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.71 2.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 155.08 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.77 159.49 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -165.34 156.55 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.12 166.76 28.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.25 177.52 19.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -160.58 155.04 23.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -174.09 169.25 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.15 -159.46 8.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.01 106.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.16 138.41 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 109.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -62.48 164.87 6.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 154.02 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.36 163.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.51 143.55 51.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.37 2.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.568 ' HD1' HG13 ' A' ' 17' ' ' VAL . 4.6 t80 -164.46 -49.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG13 ' HD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -111.94 179.73 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.8 mm-40 -78.37 101.33 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.9 mt-10 -38.58 157.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.0 138.23 22.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -112.91 169.84 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.551 ' CE1' HD13 ' A' ' 96' ' ' LEU . 6.5 m80 -124.67 82.14 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.637 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 21' ' ' ARG . 93.9 t -78.02 130.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -93.19 159.18 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.522 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 25.4 t -133.8 133.85 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.63 68.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.674 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -54.42 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.96 -68.84 2.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -164.42 39.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.85 162.12 56.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.678 HD23 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -89.11 -54.02 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.49 62.43 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.678 ' CG1' HD23 ' A' ' 32' ' ' LEU . 1.3 pt -142.13 145.29 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -107.97 142.1 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.579 HD13 HD12 ' A' ' 44' ' ' ILE . 2.5 pp -134.28 156.23 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 9.6 m -140.39 156.38 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -109.08 146.4 34.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 157.59 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.77 -58.98 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -46.21 84.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.15 -134.42 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.574 1.171 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.51 158.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.579 HD12 HD13 ' A' ' 36' ' ' ILE . 17.1 mm -121.02 132.5 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -124.72 138.57 54.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 41.4 t -67.05 124.67 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.51 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 1.4 t -95.12 -24.47 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.86 172.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 34' ' ' ILE . 2.3 p -154.26 120.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 m -57.7 149.71 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.683 HG23 ' NE2' ' A' ' 56' ' ' HIS . 4.3 p -93.63 134.81 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.21 -31.67 5.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -60.54 163.31 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.674 HG21 ' CD ' ' A' ' 27' ' ' LYS . 42.9 mm -39.52 -58.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.633 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -38.65 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.683 ' NE2' HG23 ' A' ' 51' ' ' VAL . 2.9 t-80 -38.82 -58.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -47.41 -44.82 24.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.54 -41.84 97.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 44.5 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 60' ' ' LEU . 18.7 mt -84.08 157.99 21.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.03 167.21 23.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.9 t80 -81.11 154.35 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.18 -5.35 63.36 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 94.11 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -59.84 120.82 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.31 102.25 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD11 ' OE1' ' A' ' 98' ' ' GLN . 34.1 mt -75.15 -47.43 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HB2' HD23 ' A' ' 96' ' ' LEU . 23.5 mt-10 -148.89 146.09 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.598 ' CD1' HG22 ' A' ' 85' ' ' ILE . 27.7 t80 -127.27 107.89 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.29 12.83 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.93 4.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.906 HG21 HD13 ' A' ' 85' ' ' ILE . 1.8 mt -115.38 119.46 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.588 HD22 HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -60.65 -47.26 87.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' SER . 6.3 mtp180 -38.1 116.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 86.04 26.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -100.85 137.58 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.4 p -83.06 141.85 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -40.76 -35.93 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.554 ' O ' HD12 ' A' ' 84' ' ' LEU . 4.8 mt-30 -67.0 -46.9 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -58.99 -54.96 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -49.32 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' ALA . 43.3 mtm180 -38.64 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 80' ' ' GLN . 5.3 mt -86.5 -55.97 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.906 HD13 HG21 ' A' ' 72' ' ' ILE . 64.0 mt -52.34 -50.37 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.517 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.2 pt -71.27 -40.99 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.05 44.64 3.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -103.16 -173.4 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -106.37 147.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.89 112.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -44.38 -48.79 9.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.0 m -131.44 126.11 34.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -136.35 149.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.4 m -107.83 165.47 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.57 148.16 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 22' ' ' HIS . 10.3 tp -120.78 91.5 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.3 177.6 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.578 ' OE1' HD11 ' A' ' 67' ' ' LEU . 50.6 tt0 -172.23 77.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -37.27 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -136.24 119.84 12.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.38 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.13 52.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -167.76 114.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -166.86 -61.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.649 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.75 177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.5 OUTLIER 66.73 165.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 108' ' ' SER . 3.6 t 61.85 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.5 OUTLIER 84.55 156.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.34 122.09 44.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 98.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.38 123.65 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.2 p -77.44 154.67 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.58 -78.89 1.12 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 84.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.25 2.63 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.7 m -147.18 149.26 32.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -70.98 164.91 24.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -58.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 128.93 1.73 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.1 -58.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.11 97.0 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.31 -73.61 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.95 -89.97 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.87 148.19 25.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -138.72 147.05 42.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -109.68 86.34 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.31 136.3 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.95 125.46 8.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 62.77 136.26 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -74.98 -20.33 17.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 2.9 t80 68.65 -61.42 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.52 152.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -47.99 108.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.31 159.32 0.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.694 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -75.01 148.5 35.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.464 ' HG3' HG23 ' A' ' 23' ' ' VAL . 1.4 ptp180 -126.67 163.79 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.4 m80 -117.45 103.43 10.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' A' ' 21' ' ' ARG . 42.1 t -100.03 120.21 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -81.37 156.61 25.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.579 ' CG1' HG22 ' A' ' 54' ' ' ILE . 25.4 t -135.05 137.31 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -112.03 72.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.861 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -59.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.99 -61.14 0.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -170.71 34.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 3.9 mm-40 -138.94 159.21 67.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.947 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 13.3 tp -67.48 -59.81 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 87.92 57.23 1.95 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.899 HG22 HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -151.3 145.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -101.09 145.03 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.513 HD13 HD12 ' A' ' 44' ' ' ILE . 2.7 pp -136.67 154.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 4.3 m -134.05 152.3 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -102.37 146.79 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -109.93 168.97 13.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.21 69.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -178.44 -38.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' ALA . . . 126.1 -0.09 7.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.23 174.82 33.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD12 HD13 ' A' ' 36' ' ' ILE . 21.4 mm -137.87 135.49 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 51.2 m-85 -137.97 133.25 33.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.32 134.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.05 -20.19 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 162.84 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -127.43 161.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.446 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 93.1 m -107.9 132.65 53.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.85 136.44 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.69 24.55 71.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -106.33 155.44 19.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.861 HG21 ' HD2' ' A' ' 27' ' ' LYS . 34.5 mm -40.14 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.947 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -39.74 -57.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -43.51 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ILE . 37.0 mt-30 -62.02 -41.88 98.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -60.32 -31.84 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.82 41.08 2.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -84.48 -177.24 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.12 166.0 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.8 t80 -75.74 151.41 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.99 -13.85 58.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.56 103.47 5.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 2.8 tt0 -67.65 131.13 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.3 123.57 35.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.59 -57.89 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -142.34 144.86 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.646 ' CD1' HG22 ' A' ' 85' ' ' ILE . 37.2 t80 -114.92 106.33 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.1 m-20 56.12 19.12 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.27 -36.66 3.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.899 HD13 HG23 ' A' ' 85' ' ' ILE . 1.2 mt -48.44 149.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -98.7 92.69 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 74' ' ' LEU . 26.4 mt -75.91 -24.63 55.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -22.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.11 51.12 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . -131.54 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.457 ' C ' HD11 ' A' ' 44' ' ' ILE . 71.0 p -83.86 -179.69 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.6 pt-20 -74.36 -37.97 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -67.18 -44.91 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.91 -41.55 91.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -64.62 -40.84 96.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -65.07 -10.81 33.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.22 -54.04 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.899 HG23 HD13 ' A' ' 72' ' ' ILE . 14.7 mt -49.52 -39.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.578 ' HB ' HD22 ' A' ' 32' ' ' LEU . 4.8 pt -78.01 -31.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.44 25.74 10.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -91.84 -173.23 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -105.86 145.37 31.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.82 104.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 108.266 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.08 -43.19 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.6 m -136.11 121.96 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.458 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -130.88 144.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.7 m -106.33 154.85 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 83.9 mt -132.71 140.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 20' ' ' PRO . 58.4 tp -111.0 85.63 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.46 169.2 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -160.91 79.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -38.07 126.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 103' ' ' VAL . 12.6 t-20 -133.74 115.95 13.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -75.02 54.79 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 101' ' ' PRO . 1.6 m170 -175.87 48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.3 m -116.2 54.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.37 -177.27 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -136.57 154.74 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 tp -132.1 150.8 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.15 109.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -178.0 96.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -113.3 125.82 54.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -124.17 -53.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 55.69 96.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t -144.11 129.46 18.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 139.8 109.94 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.07 5.41 22.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.2 p -143.19 118.47 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.48 156.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -167.06 139.9 3.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.05 -76.82 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m 62.97 126.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.43 148.93 31.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 131.33 2.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.28 -135.79 3.26 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.3 119.99 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.53 165.09 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -171.72 -43.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 83.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.48 136.39 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -100.09 127.82 32.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -74.98 -27.76 9.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 10.8 m-85 -173.36 -50.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.27 -175.91 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.5 mm-40 -80.73 101.01 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 4.7 mm-40 -38.49 156.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.96 124.45 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -104.21 171.75 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.45 ' CE1' HD13 ' A' ' 96' ' ' LEU . 3.1 m80 -123.66 85.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.625 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.534 HG23 ' HG3' ' A' ' 21' ' ' ARG . 48.0 t -79.35 119.54 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -81.74 160.92 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 54' ' ' ILE . 27.2 t -135.28 136.2 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 mt-30 -111.72 68.99 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -56.47 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.18 -69.42 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.78 36.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -139.18 162.23 53.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.541 HD23 HG12 ' A' ' 34' ' ' ILE . 15.9 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 76.25 67.74 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.693 HD11 HD12 ' A' ' 86' ' ' ILE . 1.1 pt -152.53 161.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -115.72 143.04 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.463 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.7 pp -133.58 149.15 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -135.33 148.53 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -100.7 146.97 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.5 141.27 16.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -54.54 7.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -44.62 28.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 147.29 6.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.31 173.77 18.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.4 mm -125.11 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 82.4 m-85 -128.79 141.12 51.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.53 125.12 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.514 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -94.26 -22.7 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.48 172.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG23 HG22 ' A' ' 34' ' ' ILE . 2.1 p -150.84 113.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -55.58 149.68 13.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.59 HG23 ' NE2' ' A' ' 56' ' ' HIS . 4.0 p -93.51 135.74 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.92 -24.24 13.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -68.84 159.29 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.506 HG21 ' HD2' ' A' ' 27' ' ' LYS . 32.1 mm -40.11 -59.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.64 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.59 ' NE2' HG23 ' A' ' 51' ' ' VAL . 1.9 t60 -37.04 -57.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.66 -47.6 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.26 -34.58 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' HIS . . . 98.6 41.98 3.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.04 156.8 26.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -145.88 165.01 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.622 ' OH ' HD21 ' A' ' 106' ' ' LEU . 6.9 t80 -77.79 151.98 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.31 -13.31 55.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.7 tt0 -60.99 117.25 5.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -74.57 107.97 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 mt -76.54 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 42.9 mt-10 -146.47 121.62 10.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 12.5 t80 -94.34 114.36 26.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.96 14.68 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.68 37.38 5.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 85' ' ' ILE . 4.6 mt -116.14 125.0 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -56.96 97.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 69' ' ' PHE . 13.5 mt -94.72 -26.59 16.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -48.36 -23.59 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 m -127.88 53.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.27 159.88 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.457 ' C ' HD11 ' A' ' 44' ' ' ILE . 82.1 p -97.47 -176.75 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.5 pt-20 -75.62 -37.51 59.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.57 -47.41 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -50.4 -64.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -30.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 82' ' ' ALA . 8.1 mt -84.31 -52.7 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.749 HD13 HG21 ' A' ' 72' ' ' ILE . 49.8 mt -54.41 -55.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.693 HD12 HD11 ' A' ' 34' ' ' ILE . 3.0 pt -66.83 -36.4 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.61 41.78 3.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.79 -173.83 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -113.3 143.82 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 161.65 121.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -49.34 -50.2 40.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.8 m -129.27 122.9 30.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.37 144.14 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.9 m -103.74 156.29 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -132.42 141.03 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 21' ' ' ARG . 57.5 tp -109.73 90.7 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.56 161.99 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' TYR . 23.5 tt0 -159.36 75.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 20.8 t80 -37.78 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -145.92 118.12 5.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.53 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -154.93 47.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -140.23 145.26 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -178.47 -61.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.568 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -52.88 126.42 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.622 HD21 ' OH ' ' A' ' 62' ' ' TYR . 38.7 mt -99.94 170.58 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -60.98 139.54 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.77 88.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.2 m170 58.28 95.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 1.5 t -113.96 79.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' SER . 20.4 ptt180 44.55 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 64.1 p -107.24 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 144.63 7.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -118.79 80.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -150.73 -56.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.2 p -140.4 101.05 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -136.68 156.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.3 -176.52 36.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -156.43 152.78 27.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m 59.93 109.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.61 -174.71 25.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.68 -99.59 0.86 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.07 146.42 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.05 99.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -139.26 161.24 37.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.09 -68.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -86.97 112.35 21.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -85.39 145.4 42.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' C ' ' CG ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.04 -17.49 19.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CZ ' ' O ' ' A' ' 14' ' ' ARG . 5.2 m-85 68.39 -62.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.54 HG13 ' NE2' ' A' ' 98' ' ' GLN . 14.6 p -144.35 134.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 5.9 mt-10 -41.12 107.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.3 mt-10 -37.59 156.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.98 131.07 13.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' HD22 ' A' ' 96' ' ' LEU . 5.3 ptm180 -105.52 169.4 8.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' CD2' ' A' ' 96' ' ' LEU . 1.9 m80 -118.62 107.56 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.37 120.24 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.518 ' HG2' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -82.48 154.05 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.605 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 27.5 t -134.23 135.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.63 72.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.946 ' HG3' HG21 ' A' ' 54' ' ' ILE . 14.8 mttt -64.07 -100.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.81 -70.23 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.04 32.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -145.76 157.79 50.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 ' CD1' HG11 ' A' ' 25' ' ' VAL . 13.3 tp -75.46 -54.01 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 64.59 1.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.688 HG22 HG23 ' A' ' 49' ' ' VAL . 1.3 pt -147.69 145.67 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -98.66 142.96 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 79' ' ' GLU . 2.6 pp -132.15 160.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -150.62 148.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -99.99 148.59 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.3 150.61 17.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.1 -18.29 46.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -40.17 64.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.63 135.69 5.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.36 -176.01 16.32 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.715 HD11 ' C ' ' A' ' 78' ' ' THR . 17.7 mm -127.05 132.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 65' ' ' GLN . 91.2 m-85 -119.76 146.82 45.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -76.32 121.89 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.474 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -94.31 -19.2 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.12 169.54 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.688 HG23 HG22 ' A' ' 34' ' ' ILE . 2.6 p -149.27 102.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -38.59 142.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.07 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 92.32 -5.31 77.85 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.7 167.46 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.946 HG21 ' HG3' ' A' ' 27' ' ' LYS . 46.4 mm -38.94 -64.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.522 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -37.99 -65.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 7.0 t60 -38.47 -52.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.89 -45.94 78.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.18 -45.01 94.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.66 48.8 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 60' ' ' LEU . 15.4 mt -91.47 152.95 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.89 172.74 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.1 t80 -86.53 154.67 20.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 82.88 -9.21 60.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.0 92.55 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 2.1 tt0 -59.21 133.32 55.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.33 122.88 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 96' ' ' LEU . 9.7 mt -97.99 -40.86 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LEU . 55.5 mt-10 -148.86 139.05 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.548 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.4 t80 -115.93 105.05 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 3.9 t-20 58.86 16.31 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.86 -32.2 4.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.888 HD13 HG23 ' A' ' 85' ' ' ILE . 2.6 mt -50.23 162.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.476 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 2.5 t30 -107.95 105.19 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 69' ' ' PHE . 4.0 mm? -79.68 -41.62 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.62 -29.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -120.17 45.51 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -125.13 -176.43 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.715 ' C ' HD11 ' A' ' 44' ' ' ILE . 43.6 p -135.31 -177.91 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.6 pt-20 -69.59 -35.46 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HG3' ' NE2' ' A' ' 81' ' ' GLN . 2.2 pt20 -70.25 -51.89 27.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.511 ' NE2' ' HG3' ' A' ' 80' ' ' GLN . 2.2 mp0 -56.36 -59.31 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . . . -42.6 -63.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -41.49 -35.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.09 -43.96 18.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.888 HG23 HD13 ' A' ' 72' ' ' ILE . 55.7 mt -58.11 -57.5 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 13.5 pt -64.39 -30.9 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.97 37.0 3.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -99.41 -174.23 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.1 OUTLIER -112.97 142.06 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 166.29 122.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -52.95 -48.62 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.7 m -132.95 123.18 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.733 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -133.33 152.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 24' ' ' LYS . 3.5 m -108.38 162.69 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.616 HG13 HD11 ' A' ' 93' ' ' ILE . 36.1 mt -139.99 141.19 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.732 HD11 HD12 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -110.85 113.78 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.641 ' N ' HD13 ' A' ' 96' ' ' LEU . . . -123.1 176.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.54 ' NE2' HG13 ' A' ' 17' ' ' VAL . 29.2 tt0 -171.83 93.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -43.25 138.19 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -126.7 113.56 22.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 51.58 2.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -134.66 -46.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.56 154.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -167.6 171.72 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.566 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER 82.0 135.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.49 86.6 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.9 p -42.08 126.86 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.73 151.97 24.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -113.55 80.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.599 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.2 p -67.67 166.08 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -172.7 151.03 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -148.04 153.27 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.17 -166.1 13.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.0 p -168.64 169.33 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.4 t -69.02 166.69 17.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -179.39 80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.12 160.93 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 -161.71 16.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.17 115.33 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -65.85 146.39 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 -142.51 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.73 62.91 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -95.34 124.83 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -70.53 146.79 49.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 129.88 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.47 152.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -142.29 135.3 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -64.9 153.41 88.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -20.32 17.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -50.52 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p -142.59 149.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.51 106.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 159.69 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.543 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.01 155.6 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG3' HG23 ' A' ' 23' ' ' VAL . 2.5 ptp180 -132.2 157.11 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.751 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.4 m80 -114.41 102.79 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.469 HG23 ' HG3' ' A' ' 21' ' ' ARG . 43.3 t -97.63 125.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 158.43 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.5 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 23.7 t -133.11 134.32 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.79 68.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -57.19 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.01 -67.4 1.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.64 37.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -141.9 161.38 51.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.9 21.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 34' ' ' ILE . 17.8 tp -79.05 -55.13 5.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 78.48 68.12 1.53 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.894 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -153.97 150.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.75 150.3 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.06 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 79' ' ' GLU . 2.4 pp -141.26 153.44 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -139.79 149.26 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -102.03 147.03 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 178.08 20.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 96.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.83 40.08 1.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.99 -142.44 9.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.99 -152.4 22.6 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 18.8 mm -117.59 137.61 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 69.5 m-85 -127.14 143.96 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.03 129.95 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -103.37 -15.32 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.32 166.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.894 HG23 HG22 ' A' ' 34' ' ' ILE . 3.4 p -150.5 114.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.5 m -54.99 144.92 21.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -97.13 128.78 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 2.26 62.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ILE . 56.2 m -100.54 168.43 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.667 HG21 ' HD2' ' A' ' 27' ' ' LYS . 40.2 mm -39.44 -62.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.517 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.2 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -39.83 -49.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -57.62 -43.66 84.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -63.6 -37.21 86.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 54.71 0.82 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.1 mt -98.33 166.25 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -159.07 167.15 30.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.3 t80 -79.53 154.33 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.6 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.62 -12.03 60.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.99 97.64 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.3 tt0 -64.03 125.19 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.37 108.53 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 67' ' ' LEU . 23.2 mt -78.11 -55.02 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 3.6 mt-10 -144.88 139.98 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.829 ' CD1' HG22 ' A' ' 85' ' ' ILE . 47.1 t80 -111.54 102.56 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.413 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 57.88 17.8 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.44 -39.42 2.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.799 HD13 HG23 ' A' ' 85' ' ' ILE . 1.9 mt -54.12 129.69 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -80.25 114.56 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.3 mm? -81.29 -37.27 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -41.51 -34.96 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -99.33 -34.45 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.724 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -53.18 146.03 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.401 ' C ' HD11 ' A' ' 44' ' ' ILE . 67.1 p -94.23 -170.84 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.0 pt-20 -74.28 -37.83 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -72.28 -43.0 64.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.8 -40.44 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.25 99.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -63.45 -13.14 37.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.53 -54.89 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.829 HG22 ' CD1' ' A' ' 69' ' ' PHE . 17.7 mt -47.14 -50.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.6 pt -67.66 -35.41 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.84 44.52 3.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.19 -173.87 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.3 94.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.45 119.15 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.95 -51.28 9.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.8 m -132.54 125.58 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.749 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -134.43 152.3 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -109.62 162.36 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.444 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.557 HG13 HD11 ' A' ' 93' ' ' ILE . 72.4 mt -137.68 139.57 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 22' ' ' HIS . 56.8 tp -111.8 96.56 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.31 171.46 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -162.04 80.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -37.39 136.53 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -133.46 118.62 14.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 54.38 3.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -164.94 62.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.6 t -145.7 115.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.25 164.0 26.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 138.98 45.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 tp -165.42 81.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.88 165.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.978 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.14 82.19 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.64 122.02 46.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.04 121.73 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -128.96 121.28 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.0 m -98.73 146.31 26.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.6 95.75 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.59 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t 62.8 115.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 136.81 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.86 94.77 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.009 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -153.5 136.99 15.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.09 93.01 2.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 121.92 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.24 80.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.84 111.99 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.7 -150.48 22.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 44.64 74.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 127.62 33.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.74 139.24 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 108.45 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 110.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -118.18 148.0 42.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.38 19.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -44.96 -46.56 11.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.52 -176.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' GLU . 3.0 mt-10 -80.04 101.45 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.47 151.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.707 ' HB3' HD11 ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.95 95.48 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.734 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.9 ptm85 -80.31 155.87 27.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CE1' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -104.91 89.23 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.549 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 60.2 t -70.69 123.56 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -85.51 157.06 20.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.852 HG11 ' CD1' ' A' ' 32' ' ' LEU . 6.8 t -134.32 131.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.38 69.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -53.08 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.44 -57.24 5.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -148.22 151.79 37.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.28 31.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.852 ' CD1' HG11 ' A' ' 25' ' ' VAL . 9.7 tp -66.66 -60.76 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.56 57.63 2.71 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.833 HG22 HG23 ' A' ' 49' ' ' VAL . 2.0 pt -138.35 140.51 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.67 150.68 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.666 HD13 HD12 ' A' ' 44' ' ' ILE . 2.6 pp -140.15 153.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG13 ' CB ' ' A' ' 47' ' ' SER . 2.4 m -136.8 148.82 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -100.41 145.69 27.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.98 163.8 20.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 58.3 3.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.767 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.38 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.38 149.54 4.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.8 154.64 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 36' ' ' ILE . 25.4 mm -118.85 132.35 68.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -127.59 136.9 52.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.53 126.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -103.44 -15.69 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.18 161.96 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.833 HG23 HG22 ' A' ' 34' ' ' ILE . 3.1 p -151.66 104.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 m -42.68 144.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.27 135.91 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 89.0 -30.13 5.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 167.98 10.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 43.7 mm -39.56 -57.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.744 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -37.33 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 4.1 t-80 -39.05 -55.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.644 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -51.46 -46.89 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.73 36.68 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.29 137.84 32.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -126.91 172.64 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 8.5 t80 -81.22 152.51 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.483 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.01 -16.87 44.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.18 114.67 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.32 123.96 28.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.09 127.1 34.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.882 HD12 HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -90.88 -56.37 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 mp0 -142.56 157.16 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.755 ' CD1' HG22 ' A' ' 85' ' ' ILE . 42.2 t80 -122.92 104.41 9.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 59.64 17.97 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.78 -32.41 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.693 HD13 HG23 ' A' ' 85' ' ' ILE . 4.8 mt -59.25 133.61 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -73.88 127.18 32.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 77' ' ' ALA . 7.7 mt -111.85 -33.2 6.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -43.51 -27.29 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -130.41 51.37 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HB3' HD23 ' A' ' 74' ' ' LEU . . . -118.83 157.03 28.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 p -94.53 153.56 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 3.7 pt-20 -51.59 -23.83 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -82.02 -57.39 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -32.62 68.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -68.82 -44.34 73.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.547 ' HA ' HD11 ' A' ' 86' ' ' ILE . 77.4 mtm180 -68.16 -8.0 34.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.759 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -98.92 -54.26 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.755 HG22 ' CD1' ' A' ' 69' ' ' PHE . 20.2 mt -51.48 -53.26 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.0 pt -60.37 -23.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 9.89 71.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 8.0 mm-40 -62.96 -174.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.54 119.01 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -170.37 123.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.57 -51.58 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.1 m -126.78 117.96 23.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.43 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -128.39 141.47 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -98.24 154.1 18.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.502 ' CD1' HG21 ' A' ' 25' ' ' VAL . 76.5 mt -134.89 143.45 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.4 107.31 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -111.54 164.64 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HB2' HD11 ' A' ' 67' ' ' LEU . 38.5 tt0 -155.62 78.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.24 125.31 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.446 ' O ' HG12 ' A' ' 103' ' ' VAL . 3.8 m-20 -122.99 115.01 29.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.32 3.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -157.4 48.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 100' ' ' ASN . 4.1 p -152.49 141.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -171.9 81.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -107.51 143.86 35.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.7 mt 60.6 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.91 -59.92 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 121.73 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.54 142.55 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.648 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.8 p -166.35 139.08 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -130.58 116.88 18.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.12 158.46 16.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.83 100.07 2.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 71.86 4.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.8 149.67 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.2 t -70.9 85.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.959 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p 55.11 169.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -134.15 146.03 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.79 73.46 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -127.28 164.49 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 p -88.22 100.12 12.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 -126.6 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.12 157.7 28.05 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.03 59.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.91 95.18 8.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.0 ptp180 -148.99 -50.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -96.76 147.51 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -128.79 133.53 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -111.05 99.88 44.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -18.39 18.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -44.51 -56.43 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 17' ' ' VAL . 10.6 p -147.79 112.47 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.45 105.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -37.74 155.81 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.589 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.04 141.21 26.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD22 ' A' ' 96' ' ' LEU . 14.0 ptm180 -110.61 163.92 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -114.22 95.11 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG23 ' HG3' ' A' ' 21' ' ' ARG . 75.6 t -86.05 120.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -86.17 153.16 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 54' ' ' ILE . 19.1 t -131.74 132.34 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.05 70.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.781 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -60.8 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.86 -67.27 2.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -159.85 40.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.22 157.1 57.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 HG12 ' A' ' 34' ' ' ILE . 14.2 tp -78.24 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.73 61.21 2.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.729 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -147.5 151.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -109.95 143.57 39.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.608 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -132.4 150.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.5 m -137.1 151.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -104.48 148.39 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.08 -154.9 30.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.29 68.11 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt 67.44 42.38 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.36 -148.56 9.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.89 -149.38 5.51 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 16.3 mm -127.6 141.16 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 77.1 m-85 -126.3 150.33 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 66' ' ' LEU . 54.8 t -77.61 128.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -99.71 -20.44 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 167.62 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.729 HG23 HG22 ' A' ' 34' ' ' ILE . 2.5 p -149.97 113.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -55.58 134.45 50.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 76.6 t -85.86 131.46 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.99 -14.64 64.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -82.73 165.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.781 HG21 ' HD2' ' A' ' 27' ' ' LYS . 32.3 mm -38.49 -59.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.84 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ALA . 11.8 t-80 -37.3 -56.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -49.57 -46.35 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.91 -44.53 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.57 46.32 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 60' ' ' LEU . 17.5 mt -85.83 153.99 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -144.22 163.98 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.9 t80 -80.24 154.88 27.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 76.82 -1.54 62.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 89.29 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.6 tt0 -48.8 133.11 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 46' ' ' VAL . 8.7 mt -88.86 113.92 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.876 HD12 ' CD1' ' A' ' 96' ' ' LEU . 15.3 mt -82.14 -71.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 19.5 mt-10 -134.73 137.81 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 54.7 t80 -106.06 99.14 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.432 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 58.09 17.57 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.86 -44.57 1.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.696 HG21 HD13 ' A' ' 85' ' ' ILE . 3.8 mt -50.78 129.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -82.04 120.29 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 69' ' ' PHE . 4.5 mm? -85.74 -40.25 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 2.5 mtp-105 -38.08 -35.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.23 57.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.31 173.36 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.3 p -124.16 149.45 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.456 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -44.82 -38.11 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.79 -38.56 86.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -77.57 -54.57 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -46.32 -41.78 13.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -65.58 -34.17 77.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' GLN . 13.0 mt -78.44 -39.6 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.696 HD13 HG21 ' A' ' 72' ' ' ILE . 41.9 mt -63.13 -64.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.581 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.4 pt -53.0 -24.72 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.23 15.82 61.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.7 mm-40 -66.06 -174.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.98 124.38 39.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.83 124.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.88 -53.79 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.2 m -130.44 122.22 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.61 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -130.31 147.55 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 m -108.4 158.12 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.458 HG13 HD11 ' A' ' 93' ' ' ILE . 11.8 mt -139.65 147.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.876 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.8 tm? -114.71 115.13 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -115.18 176.73 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -169.28 90.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -38.97 135.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -126.46 106.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 54.76 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -161.94 48.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.6 p -156.59 66.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 12.4 p80 -106.59 64.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -100.87 170.76 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mp 66.16 159.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.4 t -67.14 85.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.2 158.32 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.07 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.5 t -130.57 151.99 50.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -103.83 108.48 19.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -100.49 110.0 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.27 160.02 23.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.0 m 59.97 117.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -88.61 88.41 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m 44.31 80.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.15 136.4 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.1 113.8 1.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 m -97.62 85.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.764 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -151.87 146.48 25.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.02 145.61 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.99 172.63 40.94 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.48 123.9 48.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.44 171.58 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 163.67 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.9 129.18 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -104.64 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 18' ' ' GLU . 17.6 mtm105 -116.95 83.02 14.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.07 -0.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' CE1' ' HD2' ' A' ' 15' ' ' PRO . 8.6 p90 -152.68 -50.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER -170.04 169.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.5 mt-10 -59.35 108.25 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' GLU . 6.3 mt-10 -37.01 154.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.99 148.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -128.11 164.11 23.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.0 m80 -115.15 99.76 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.24 123.75 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -86.75 152.97 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.666 HG11 ' CD1' ' A' ' 32' ' ' LEU . 8.4 t -133.68 131.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 71.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HE2' HD13 ' A' ' 32' ' ' LEU . 12.9 mmtt -55.83 -71.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.38 -59.02 4.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -165.93 34.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -147.24 153.56 44.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.19 10.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.666 ' CD1' HG11 ' A' ' 25' ' ' VAL . 12.5 tp -77.11 -53.97 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.32 59.67 3.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.648 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.4 pt -141.01 139.57 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -93.41 143.41 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.7 pp -136.26 146.84 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.796 HG13 ' HB3' ' A' ' 47' ' ' SER . 3.1 m -124.56 149.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -101.1 147.06 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.14 -5.93 52.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 48.75 40.9 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.8 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.31 -115.49 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.12 -147.34 6.17 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -107.07 142.52 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -132.98 137.77 46.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.88 133.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.796 ' HB3' HG13 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -106.46 -20.77 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 169.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.554 HG23 HG22 ' A' ' 34' ' ' ILE . 1.7 p -147.12 119.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -57.07 135.08 56.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.43 129.2 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.71 -23.67 31.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 p -70.31 166.18 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.516 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 39.2 mm -40.75 -55.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.648 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -40.63 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -40.45 -42.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.35 -42.65 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 25' ' ' VAL . . . -60.54 -37.84 82.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.26 44.25 2.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.75 148.69 21.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.78 172.83 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 7.2 t80 -82.84 155.69 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.566 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.0 -10.29 60.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.37 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -74.98 125.34 28.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.1 116.19 23.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.4 mt -87.54 -51.7 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -138.34 153.09 48.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.6 ' CD2' HG22 ' A' ' 85' ' ' ILE . 60.4 t80 -126.62 96.13 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.37 11.11 8.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.09 -27.49 5.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.745 HG21 HD13 ' A' ' 85' ' ' ILE . 1.8 mt -60.58 141.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.69 100.22 11.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 74' ' ' LEU . 13.2 mt -82.04 -24.51 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -45.49 -27.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -129.8 62.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.98 155.12 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 p -97.09 147.4 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -41.28 8.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.647 ' O ' HD12 ' A' ' 84' ' ' LEU . 10.8 pt20 -64.33 -39.65 94.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.34 -47.77 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -50.76 -56.08 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HA ' HD11 ' A' ' 86' ' ' ILE . 96.4 mtt180 -50.83 -27.17 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 80' ' ' GLN . 6.4 mt -85.47 -56.1 3.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.745 HD13 HG21 ' A' ' 72' ' ' ILE . 62.3 mt -48.19 -41.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.4 pt -79.86 -35.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.18 35.95 3.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -98.22 -173.91 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -103.55 143.48 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.49 107.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.01 -46.9 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.8 m -132.07 127.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -139.04 146.39 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 m -106.87 157.55 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.424 HG13 HD11 ' A' ' 93' ' ' ILE . 6.4 mt -132.52 140.36 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.584 HD13 ' CE1' ' A' ' 22' ' ' HIS . 20.8 tp -111.3 83.22 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.69 175.86 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -169.45 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -37.52 127.29 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.554 ' OD1' HG21 ' A' ' 17' ' ' VAL . 1.3 t30 -134.47 118.7 13.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 -152.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.3 t60 49.25 27.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 t -127.09 137.84 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.95 154.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -150.55 146.2 26.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mp -115.16 126.61 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.1 p -105.19 168.35 9.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.4 m -115.4 172.69 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -146.9 175.67 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.44 166.22 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 163.32 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 p -141.79 172.36 12.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -117.41 156.51 15.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.18 152.47 29.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.85 162.31 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.4 m -163.92 170.25 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.73 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -174.24 161.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.9 100.51 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.03 85.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.51 168.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.74 147.37 5.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.44 -62.69 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.13 151.45 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -88.09 139.46 30.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.37 143.82 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.95 116.62 30.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.8 153.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.55 144.64 44.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 -17.29 19.66 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 57.35 -84.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' PRO . 8.5 p -124.71 154.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.81 105.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -40.92 155.76 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.748 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -74.99 131.71 14.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.859 ' O ' HD12 ' A' ' 96' ' ' LEU . 12.2 ptm180 -110.38 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -126.28 96.18 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -87.95 123.26 40.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -90.5 152.83 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.616 ' CG1' HG22 ' A' ' 54' ' ' ILE . 15.7 t -134.53 132.66 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -106.3 70.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -49.62 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.49 59.89 3.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -145.53 159.39 48.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 34' ' ' ILE . 21.3 tp -105.42 -46.94 4.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' C ' ' HG1' ' A' ' 50' ' ' THR . . . 72.65 66.0 2.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.35 143.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 t -99.49 145.18 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -134.24 157.98 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -149.11 148.54 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -101.26 146.66 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.45 -162.14 30.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.16 63.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 69.02 45.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.66 -129.28 4.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.13 -154.28 23.32 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.414 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 20.6 mm -118.13 133.45 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 94.1 m-85 -121.35 144.71 48.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.51 ' CG2' HD21 ' A' ' 66' ' ' LEU . 94.4 t -74.89 123.0 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.531 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -95.4 -11.14 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.67 173.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.4 p -146.73 60.47 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.2 m 28.13 -139.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 50' ' ' THR . 13.4 t -161.1 116.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 73.24 4.9 65.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -79.94 166.02 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.616 HG22 ' CG1' ' A' ' 25' ' ' VAL . 37.3 mm -36.77 -58.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.586 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -46.55 -59.39 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.424 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 16.4 t-80 -47.15 -42.99 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -68.28 -30.99 70.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.02 47.99 1.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 60' ' ' LEU . 14.7 mt -94.11 -176.58 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.73 162.68 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 4.8 t80 -76.7 149.01 36.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.481 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.41 -11.49 67.8 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 105.65 7.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' OE1' HD23 ' A' ' 67' ' ' LEU . 1.4 tm0? -65.97 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.51 HD21 ' CG2' ' A' ' 46' ' ' VAL . 12.0 mt -90.98 96.08 10.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD23 ' OE1' ' A' ' 65' ' ' GLN . 69.4 mt -64.65 -57.62 8.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.14 148.12 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.767 ' HB2' HD11 ' A' ' 74' ' ' LEU . 49.0 t80 -109.1 99.45 8.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.585 ' ND2' ' CD1' ' A' ' 69' ' ' PHE . 15.7 p30 44.74 26.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 69' ' ' PHE . . . 97.56 55.66 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.02 ' CG2' HD13 ' A' ' 85' ' ' ILE . 1.4 mt -146.17 107.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.59 121.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 69' ' ' PHE . 18.0 mt -118.53 -42.37 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -45.49 -26.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 m -123.7 36.48 4.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.53 164.03 12.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.4 p -107.74 147.64 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -43.59 -42.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -40.86 93.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -70.56 -52.36 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -48.02 -58.27 4.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.4 mtt85 -48.97 -27.96 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.2 -51.95 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.02 HD13 ' CG2' ' A' ' 72' ' ' ILE . 65.9 mt -55.3 -42.83 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.549 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.6 pt -75.04 -32.05 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 36.02 3.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.95 -172.38 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.8 118.66 34.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -167.57 105.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.293 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . 87.7 m-20 -39.28 -43.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 11.8 m -135.95 112.16 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.644 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -118.45 144.26 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -109.09 157.5 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.7 mt -133.04 147.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.859 HD12 ' O ' ' A' ' 21' ' ' ARG . 48.9 tp -117.04 85.17 2.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.04 172.18 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 34.7 tt0 -169.54 80.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 52.6 t80 -36.67 136.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.421 ' OD1' HG21 ' A' ' 17' ' ' VAL . 4.7 m-20 -132.94 116.13 14.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.41 3.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 57.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -137.55 127.16 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.74 127.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -145.58 102.4 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.7 mt 52.97 176.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.21 154.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.14 94.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -170.73 168.54 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.0 t -102.72 113.06 26.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -100.57 165.19 11.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 t -131.37 144.55 51.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -164.17 157.64 30.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 m -114.35 101.96 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.8 t -130.25 141.32 50.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.34 106.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 144.95 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.08 172.59 14.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -115.94 -68.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.05 157.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 138.03 31.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.02 119.7 5.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -133.7 67.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.83 112.18 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.45 108.47 9.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -169.37 161.46 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 6.7 p-10 -168.71 116.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER 38.29 79.51 0.31 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.1 14.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.53 -47.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.85 172.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 23.8 mp0 -75.05 102.37 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -36.22 153.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.643 ' HB3' HD11 ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.638 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -86.79 152.21 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.502 ' CE1' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -102.35 98.66 8.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' ILE . 97.7 t -84.84 128.31 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.77 162.83 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 20.6 t -137.83 141.72 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.32 70.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 54' ' ' ILE . 1.6 mptt -62.58 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.79 -59.12 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.69 35.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' CG ' HD11 ' A' ' 54' ' ' ILE . 1.2 pm0 -147.04 158.71 44.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.52 18.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 34' ' ' ILE . 19.7 tp -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 87.97 61.77 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.741 HG22 HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -155.46 155.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.9 t -104.84 141.56 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.587 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -133.91 152.94 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -136.78 150.19 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -98.38 145.99 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.64 158.68 21.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -39.18 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -58.66 -40.91 84.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.57 -135.22 4.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.63 157.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.601 HD11 ' C ' ' A' ' 78' ' ' THR . 8.7 mm -122.79 144.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -140.88 132.25 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 68.8 t -56.88 133.9 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -107.25 -18.23 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.15 157.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -129.8 154.2 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.4 m -104.75 119.38 38.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.6 t -69.07 133.46 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.89 45.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.03 160.89 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 27' ' ' LYS . 45.7 mm -37.73 -62.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.56 -68.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ALA . 48.8 t-80 -38.57 -50.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.34 -46.76 82.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -31.96 69.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.27 36.84 4.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -82.44 175.53 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.94 175.16 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.3 t80 -84.49 151.34 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.513 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.06 -5.93 81.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.79 114.53 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.65 113.7 16.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.96 127.3 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 HD22 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -95.85 -57.85 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 36.2 mt-10 -133.19 177.99 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' A' ' 85' ' ' ILE . 49.1 t80 -152.29 98.03 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.5 m-20 58.63 17.92 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.69 -30.56 4.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.671 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -62.29 158.39 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 1.9 t-20 -108.7 103.76 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 79.3 mt -84.26 -23.03 30.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -20.02 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ALA . 4.3 m -119.06 -36.67 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -42.86 164.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.601 ' C ' HD11 ' A' ' 44' ' ' ILE . 1.3 p -101.75 -167.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 4.6 pt-20 -83.45 -37.76 22.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.51 72.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -36.96 55.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.587 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -67.78 -41.77 82.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -65.04 -11.64 41.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.28 -54.65 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.671 HG23 HD13 ' A' ' 72' ' ' ILE . 15.7 mt -47.16 -47.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -69.44 -32.65 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 37.11 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.45 -173.82 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -103.42 146.96 27.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.84 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.263 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -48.09 -44.42 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.1 m -134.61 116.73 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -125.65 141.03 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.2 m -97.54 152.54 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' VAL . 89.2 mt -136.88 144.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.727 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -114.16 105.51 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -107.22 173.69 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 67' ' ' LEU . 37.9 tt0 -165.37 77.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.09 127.64 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -124.55 114.68 27.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -160.22 54.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -169.75 123.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -169.63 129.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -122.94 109.53 14.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.57 118.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -110.77 112.54 24.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.08 130.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.08 177.13 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.544 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -128.22 175.26 8.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.15 159.6 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -70.12 111.79 6.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.24 -178.42 1.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -51.71 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.435 1.755 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.31 161.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 87.6 p -132.0 165.06 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.18 151.28 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -58.83 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.35 141.89 10.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.91 113.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 155.57 44.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.62 -73.6 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.45 153.92 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.78 123.07 48.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.91 94.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.64 136.71 16.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.08 149.71 39.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.4 164.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 114.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.05 -28.36 9.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -36.96 -52.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' HD3' ' A' ' 101' ' ' PRO . 15.0 p -170.09 146.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.1 mt-10 -47.2 107.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 21.1 mt-10 -38.52 156.39 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.702 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.1 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 96' ' ' LEU . 9.4 ptm180 -94.52 171.44 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.619 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.7 m80 -117.26 88.48 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.499 HG11 HD21 ' A' ' 60' ' ' LEU . 54.1 t -73.01 121.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.76 ' HG2' HG23 ' A' ' 94' ' ' THR . 0.4 OUTLIER -87.42 160.31 18.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.571 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 3.0 t -140.82 146.31 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -124.2 54.66 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HG2' HG21 ' A' ' 54' ' ' ILE . 12.0 mttt -38.74 -66.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.16 -60.01 4.26 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -165.42 36.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -148.61 150.14 32.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.33 42.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD1' HG11 ' A' ' 25' ' ' VAL . 7.9 tp -55.99 -62.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.84 56.91 2.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.839 HG22 HG13 ' A' ' 49' ' ' VAL . 1.1 pp -143.78 132.95 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.59 148.89 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.3 pp -137.72 151.15 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.2 149.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -101.97 146.02 28.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.07 153.89 20.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -72.27 59.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.04 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.9 145.91 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.73 151.01 10.57 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 14.8 mm -116.3 139.83 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 52.2 m-85 -132.32 144.02 50.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 61.6 t -66.36 127.27 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.501 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.66 -24.75 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.73 175.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.839 HG13 HG22 ' A' ' 34' ' ' ILE . 1.5 t -115.38 -165.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.719 ' H ' HG12 ' A' ' 49' ' ' VAL . 1.2 m -119.0 -7.88 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' THR . 40.5 t 61.96 137.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.04 32.08 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -118.45 166.49 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.641 HG21 ' HG2' ' A' ' 27' ' ' LYS . 47.5 mm -37.72 -58.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.676 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -45.04 -64.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.4 t-80 -39.32 -46.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -61.25 -46.25 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.22 -17.16 51.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.53 6.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD21 HG11 ' A' ' 23' ' ' VAL . 81.0 mt -100.64 144.15 29.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.31 171.34 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 12.6 t80 -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.506 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.79 -31.81 4.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.34 101.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 8.4 tt0 -72.72 117.98 15.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.8 mt -72.69 106.63 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.686 HD11 ' OE1' ' A' ' 98' ' ' GLN . 59.3 mt -80.99 -50.92 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 28.5 mt-10 -149.43 137.69 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CD1' HG22 ' A' ' 85' ' ' ILE . 42.4 t80 -108.64 104.81 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.35 17.55 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 -45.15 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.685 HG21 HD13 ' A' ' 85' ' ' ILE . 2.2 mt -41.64 152.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -101.53 113.27 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.461 HD12 HG13 ' A' ' 44' ' ' ILE . 3.9 mm? -80.44 -40.44 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.73 -36.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -112.69 48.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -130.09 -177.31 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.449 ' C ' HD11 ' A' ' 44' ' ' ILE . 51.2 p -135.36 178.42 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.4 pt-20 -68.16 -36.7 80.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' CG ' ' NE2' ' A' ' 81' ' ' GLN . 2.7 pt20 -68.69 -41.06 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.556 ' NE2' ' CG ' ' A' ' 80' ' ' GLN . 2.0 mp0 -71.26 -53.87 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -45.93 -55.67 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -53.02 -26.26 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' GLN . 16.7 mt -86.6 -38.86 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.685 HD13 HG21 ' A' ' 72' ' ' ILE . 67.5 mt -65.57 -64.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -54.44 -22.07 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 12.69 69.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.6 mm-40 -61.77 -174.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.4 ' O ' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.52 117.2 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.2 m -175.4 118.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -45.93 -52.59 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 4.0 m -125.66 112.92 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -122.48 147.61 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.76 HG23 ' HG2' ' A' ' 24' ' ' LYS . 3.1 m -102.27 162.9 12.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.446 HD12 HG21 ' A' ' 25' ' ' VAL . 4.5 mt -141.01 142.83 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 20' ' ' PRO . 47.4 tp -112.07 88.29 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.02 174.58 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.686 ' OE1' HD11 ' A' ' 67' ' ' LEU . 64.6 tt0 -168.07 83.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -38.15 143.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -134.35 109.93 11.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 54.49 3.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 101' ' ' PRO . 3.1 p-80 169.47 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.463 HG13 ' H ' ' A' ' 104' ' ' HIS . 1.9 p -136.25 -54.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.463 ' H ' HG13 ' A' ' 103' ' ' VAL . 78.9 m80 39.87 80.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -89.59 78.47 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.94 159.75 27.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.8 p -176.98 154.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 117.79 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -112.47 166.91 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.01 91.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.91 108.71 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 151.96 23.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.61 154.1 7.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 p -176.63 -62.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.7 m 58.71 93.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.11 89.82 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -162.4 134.25 5.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.39 137.46 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -148.43 123.0 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -91.14 87.6 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.54 146.4 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.52 136.63 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -176.15 169.66 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -89.01 95.1 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.44 120.77 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 162.42 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 3.8 m-20 -115.04 39.75 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER 77.63 92.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -13.08 21.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.11 -32.42 9.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -139.7 143.64 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLU . 4.6 mt-10 -43.52 107.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.2 mp0 -38.39 156.8 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.721 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.03 136.66 20.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.663 ' O ' HD12 ' A' ' 96' ' ' LEU . 5.0 ptm180 -118.8 169.56 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.561 ' CE1' HD13 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -116.94 116.46 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.65 118.73 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.01 157.1 28.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.1 t -134.33 134.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 mt-30 -108.76 68.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.47 7.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 50.08 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.777 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 6.6 mm-40 -147.19 162.32 33.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.79 12.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.8 tp -102.09 -45.95 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 67.65 65.02 2.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.615 HG22 HG23 ' A' ' 49' ' ' VAL . 1.2 pt -143.74 155.22 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.39 146.04 41.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -138.49 153.67 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.3 m -140.98 149.08 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -99.84 146.62 26.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.79 70.36 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.54 83.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.4 35.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.8 -149.91 13.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.84 -160.82 5.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 78' ' ' THR . 18.6 mm -129.14 135.82 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 24.4 m-85 -127.36 133.09 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.84 129.11 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -102.47 -11.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.003 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 174.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 34' ' ' ILE . 2.8 p -155.95 100.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' GLY . 26.4 m -42.09 150.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.692 HG23 ' NE2' ' A' ' 56' ' ' HIS . 3.2 p -98.5 138.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.79 -20.34 28.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -76.68 163.63 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.506 HG22 ' CG1' ' A' ' 25' ' ' VAL . 32.0 mm -40.11 -57.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.49 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.692 ' NE2' HG23 ' A' ' 51' ' ' VAL . 8.4 t-80 -38.94 -51.41 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.96 -45.5 78.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.12 -34.41 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.9 43.26 2.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.2 mt -86.33 150.54 24.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.9 166.56 25.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 11.0 t80 -77.73 154.47 32.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.533 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.38 -21.4 25.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 98.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.4 tt0 -65.8 121.5 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.41 128.26 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -101.12 -60.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -132.43 144.73 50.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CD1' HG22 ' A' ' 85' ' ' ILE . 18.2 t80 -118.95 110.39 17.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 49.13 23.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.38 -33.78 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.837 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -58.74 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -73.2 93.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 12.9 mt -57.96 -40.31 80.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -40.83 128.25 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 1.3 t 88.63 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -48.85 175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.672 ' O ' HD11 ' A' ' 44' ' ' ILE . 43.1 p -115.03 -161.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -87.93 -38.8 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.485 ' HG3' ' NE2' ' A' ' 81' ' ' GLN . 1.8 pt20 -64.9 -40.09 94.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' NE2' ' HG3' ' A' ' 80' ' ' GLN . 3.7 mp0 -71.05 -41.06 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -66.49 -39.08 88.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HA ' HD11 ' A' ' 86' ' ' ILE . 13.4 mtt180 -65.92 -9.87 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.8 -55.1 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.837 HG23 HD13 ' A' ' 72' ' ' ILE . 18.8 mt -49.27 -47.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 83' ' ' ARG . 1.9 pt -68.89 -33.39 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.23 40.87 2.92 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -105.91 -173.38 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -107.77 146.61 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.287 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.83 107.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.338 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -40.85 -48.15 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.3 m -133.03 123.78 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.545 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -129.19 146.48 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.421 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.7 m -103.05 158.98 15.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.3 mt -139.01 139.74 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 20' ' ' PRO . 28.9 tp -114.6 88.78 2.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.45 167.42 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' TYR . 39.0 tt0 -151.61 87.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLN . 27.7 t80 -37.07 111.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.68 111.7 35.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -152.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.5 m80 52.24 24.59 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.63 114.39 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.05 173.26 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 63.07 141.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.516 HD12 ' OH ' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -134.93 -67.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.98 134.9 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.3 p -77.28 165.78 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.36 81.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.635 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.08 140.57 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -126.2 159.13 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.47 174.41 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -98.96 -138.56 10.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 84.45 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.93 167.05 10.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.6 t -87.55 147.65 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.34 155.55 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -145.64 84.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.79 133.23 1.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.57 113.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -160.77 159.57 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.61 143.66 3.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.94 -170.33 28.7 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -168.38 161.81 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.246 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.32 90.52 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 177.65 118.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.58 150.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.67 109.71 16.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . 16.6 mtt85 61.7 112.93 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.02 -20.75 16.52 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' CZ ' ' O ' ' A' ' 14' ' ' ARG . 8.9 m-85 68.48 -60.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PRO . 9.0 p -136.8 159.06 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 4.0 mm-40 -51.24 108.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.4 pm0 -38.27 151.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -74.91 137.56 22.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.831 ' O ' HD12 ' A' ' 96' ' ' LEU . 13.1 ptm180 -118.2 172.55 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -119.02 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' ALA . 24.2 t -75.61 117.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.38 145.85 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.578 HG21 HD12 ' A' ' 95' ' ' ILE . 3.9 t -127.0 130.58 71.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.506 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 mt-30 -109.86 68.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.757 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.48 -85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.98 -62.74 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -167.76 34.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -138.08 159.14 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.83 30.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 86' ' ' ILE . 14.2 tp -71.7 -57.28 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 84.71 63.51 1.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 33' ' ' GLY . 1.0 OUTLIER -156.17 151.65 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 7.0 t -101.07 143.34 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.638 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -136.37 144.21 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -130.89 148.63 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -101.59 146.08 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.77 169.24 31.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.97 52.78 2.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -174.77 -45.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.73 5.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.39 152.97 13.53 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.2 mm -118.42 137.59 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -130.92 135.06 47.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 28.9 t -62.95 128.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.95 -22.15 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 161.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 34' ' ' ILE . 1.4 t -123.99 157.28 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 97.1 m -99.22 165.57 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 t -102.07 146.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.35 34.16 17.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ILE . 84.6 p -114.62 157.04 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.757 HG21 ' CD ' ' A' ' 27' ' ' LYS . 31.2 mm -39.17 -54.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -51.25 -59.85 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -42.58 -34.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.13 -39.77 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.48 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -61.55 -17.05 53.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.32 38.24 18.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.9 162.17 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.89 169.22 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -75.46 152.9 37.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.582 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.42 -15.41 50.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.99 99.89 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.99 112.05 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HB3' HD12 ' A' ' 74' ' ' LEU . 29.2 mt -71.15 117.06 12.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.37 -62.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.9 mt-10 -139.74 138.42 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' CD1' ' A' ' 93' ' ' ILE . 11.6 t80 -107.98 111.2 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 93' ' ' ILE . 5.5 t-20 47.35 25.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.71 -35.36 4.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.746 HG21 HD13 ' A' ' 85' ' ' ILE . 2.8 mt -54.96 130.92 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.16 90.15 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 66' ' ' LEU . 10.9 mt -66.81 -33.89 76.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.69 -29.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 49.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.2 158.24 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -100.02 157.3 16.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -52.56 -38.65 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.2 -34.75 78.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.11 -38.98 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.638 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -64.82 -42.05 95.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -70.54 -6.87 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.39 -55.22 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.746 HD13 HG21 ' A' ' 72' ' ' ILE . 22.9 mt -47.5 -43.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.629 ' HB ' HD22 ' A' ' 32' ' ' LEU . 5.6 pt -70.55 -30.98 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -91.69 29.11 7.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HG3' HD12 ' A' ' 84' ' ' LEU . 14.4 mt-30 -99.65 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.365 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -82.96 -162.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 5.1 t 100.35 87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.46 -35.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m -140.55 102.51 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.568 ' CD1' ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -116.02 145.36 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.422 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.7 m -103.09 157.64 16.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.578 HD12 HG21 ' A' ' 25' ' ' VAL . 45.4 mt -132.27 146.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 21' ' ' ARG . 64.8 tp -112.42 99.4 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.17 160.83 15.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 31.9 tt0 -152.61 92.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -43.54 119.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.448 ' O ' HG12 ' A' ' 103' ' ' VAL . 60.6 t30 -115.62 111.02 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.49 3.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -156.21 50.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 103' ' ' VAL . 2.4 p -155.29 62.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -151.88 124.53 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -161.46 97.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp 71.2 -69.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 t 43.36 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.4 p 178.37 142.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.1 m80 54.4 87.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -165.38 127.79 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.62 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.3 m -98.59 149.91 22.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.5 163.93 27.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.91 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 86.0 p -91.86 93.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.5 m 59.44 86.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -178.14 150.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.88 79.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.96 76.62 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -99.4 -56.97 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.54 -67.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.98 -132.16 2.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.78 74.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -85.0 101.06 12.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -124.55 148.93 47.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 62.4 130.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 168.12 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.82 143.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -51.36 116.0 7.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -74.97 -24.18 13.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 5.7 m-85 -174.41 -56.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -121.69 172.0 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -72.51 105.76 4.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -32.49 152.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.715 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.95 122.51 7.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.912 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.91 178.71 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CE1' HD23 ' A' ' 96' ' ' LEU . 9.4 m80 -129.93 81.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.98 119.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 152.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.552 ' CG1' HG22 ' A' ' 54' ' ' ILE . 9.6 t -132.74 132.88 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.25 74.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.843 ' HD3' HG21 ' A' ' 54' ' ' ILE . 3.0 mmtt -59.63 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.15 -52.06 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -177.98 36.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.36 155.72 60.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 12.5 tp -79.45 -54.89 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.72 64.39 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.787 HG22 HG22 ' A' ' 49' ' ' VAL . 1.1 pt -151.34 143.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 5.8 t -91.16 142.73 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.569 HD13 HD12 ' A' ' 44' ' ' ILE . 2.6 pp -139.0 150.54 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 47' ' ' SER . 3.5 m -134.52 149.54 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -97.78 148.36 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . -88.85 31.32 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.6 tt0 38.2 57.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.737 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.79 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.45 147.23 5.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.22 148.22 22.2 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.569 HD12 HD13 ' A' ' 36' ' ' ILE . 12.0 mm -124.15 135.87 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 0.723 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 31.2 m-85 -127.47 138.48 52.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 91.0 t -63.29 131.39 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.523 ' HB2' HG13 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -109.84 -16.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.026 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -178.91 164.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.787 HG22 HG22 ' A' ' 34' ' ' ILE . 1.3 t -135.43 155.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.415 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 93.7 m -104.0 121.12 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.91 130.93 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -22.32 19.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 50' ' ' THR . 1.3 p -68.25 160.08 29.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.747 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.843 HG21 ' HD3' ' A' ' 27' ' ' LYS . 37.8 mm -40.54 -56.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -40.6 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ALA . 32.9 t-80 -38.51 -49.14 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.564 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -53.49 -48.24 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -62.24 -36.38 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 51.55 1.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.0 158.65 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -143.63 158.79 43.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.4 t80 -79.25 156.7 28.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.604 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 89.21 -33.11 4.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -58.91 145.53 41.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.0 tt0 -105.8 133.25 50.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.492 HD22 ' CG2' ' A' ' 95' ' ' ILE . 16.5 mt -99.3 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.822 HD12 HD11 ' A' ' 96' ' ' LEU . 11.0 mt -88.18 -44.2 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -139.62 168.21 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CD1' HG22 ' A' ' 85' ' ' ILE . 39.4 t80 -143.08 101.68 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.6 t-20 59.45 16.71 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.01 -26.16 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.933 HD13 HG23 ' A' ' 85' ' ' ILE . 2.0 mt -58.07 157.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.75 97.52 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.1 mt -77.33 -41.6 39.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -124.68 52.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -131.97 163.42 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p -108.51 155.47 20.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -47.16 -37.3 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.5 -56.42 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -45.35 84.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.55 87.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -63.9 -11.96 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.44 -54.53 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.933 HG23 HD13 ' A' ' 72' ' ' ILE . 15.7 mt -47.23 -48.34 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.545 HG22 ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -70.28 -30.88 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 36.84 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -105.83 -174.36 2.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -102.22 148.24 25.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.79 106.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.39 -46.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.4 m -134.99 122.01 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -131.03 144.89 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -105.26 170.48 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.492 ' CG2' HD22 ' A' ' 66' ' ' LEU . 79.3 mt -145.54 140.31 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 21' ' ' ARG . 1.2 tm? -105.31 116.41 31.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.599 ' N ' HD13 ' A' ' 96' ' ' LEU . . . -127.77 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 99' ' ' TYR . 33.1 tt0 -140.88 48.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 2.7 t80 35.05 -156.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 5.1 p-10 159.68 79.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.44 32.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.6 t -120.28 -51.17 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -45.03 -60.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.66 131.87 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.8 mt 62.47 147.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.05 97.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 p -179.96 140.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.08 144.4 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 m -119.35 129.82 55.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.11 159.46 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.92 88.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.98 157.28 17.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.5 5.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.27 -58.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.63 161.62 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -143.02 155.35 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -155.27 140.69 17.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.95 146.98 18.52 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -174.49 104.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.42 167.81 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.99 -127.24 0.88 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.39 176.3 28.86 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -161.49 106.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 169.11 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.1 -54.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.91 -67.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.7 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -116.15 87.99 21.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -153.73 -43.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG23 ' CD ' ' A' ' 101' ' ' PRO . 9.8 p -155.4 144.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.88 107.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.14 151.27 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.754 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.0 128.73 11.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.713 ' O ' HD22 ' A' ' 96' ' ' LEU . 4.5 ptp85 -105.57 168.31 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -117.44 106.39 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' A' ' 21' ' ' ARG . 49.7 t -100.55 116.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.72 158.79 31.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 33.0 t -133.93 136.47 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.58 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.3 mt-30 -111.44 71.65 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.791 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -62.79 -84.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 54.65 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.69 43.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.0 mp0 -144.31 157.38 56.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 13.7 tp -86.74 -55.91 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 83.03 62.94 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.825 HG22 HG22 ' A' ' 49' ' ' VAL . 1.1 pt -153.67 148.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 3.7 t -98.54 141.96 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -132.41 155.49 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 5.3 m -142.24 153.6 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -112.27 147.34 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.42 17.44 58.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.93 -67.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.38 -44.96 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.31 155.27 7.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 150.88 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.702 HG22 HD12 ' A' ' 66' ' ' LEU . 19.2 mm -123.16 137.73 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 37' ' ' VAL . 70.5 m-85 -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 50.3 t -59.53 130.98 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.485 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -103.26 -20.64 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -178.22 166.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 34' ' ' ILE . 1.4 t -134.37 153.97 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.6 m -99.5 150.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 p -94.01 144.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.04 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 159.25 15.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.791 HG21 ' CD ' ' A' ' 27' ' ' LYS . 39.1 mm -40.76 -64.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.648 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -37.28 -63.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.2 t60 -39.44 -51.36 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -61.32 -42.19 98.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.07 -29.55 67.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.1 46.02 3.7 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.44 168.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.36 165.04 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.9 t80 -83.16 156.85 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.63 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.29 -6.2 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.96 102.16 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -53.75 130.01 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.702 HD12 HG22 ' A' ' 44' ' ' ILE . 49.3 mt -89.1 107.04 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.874 HD12 ' CD1' ' A' ' 96' ' ' LEU . 17.6 mt -77.09 -74.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -132.31 155.72 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 74' ' ' LEU . 43.3 t80 -124.87 104.54 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.53 13.58 7.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.14 19.29 63.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.607 HG21 HG21 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -80.97 6.99 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 53.68 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 69' ' ' PHE . 3.4 mt -93.02 -21.9 19.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -45.46 -25.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' LEU . 29.1 t -126.74 60.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.755 ' HB3' HD23 ' A' ' 74' ' ' LEU . . . -139.79 161.35 37.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.487 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 41.1 p -102.42 179.28 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.0 pt-20 -70.0 -37.33 75.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.08 -39.97 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.487 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -71.61 -52.05 20.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -46.35 -57.3 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' HA ' HD11 ' A' ' 86' ' ' ILE . 11.9 mtp180 -48.08 -31.92 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' GLY . 21.6 mt -82.61 -57.72 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.656 HG22 ' CD1' ' A' ' 69' ' ' PHE . 58.4 mt -43.21 -57.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 83' ' ' ARG . 1.6 pt -62.31 -30.17 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -87.94 36.67 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.82 -174.12 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -115.85 118.11 32.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.3 m -168.9 116.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -46.27 -52.52 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 79.3 m -130.28 127.2 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.86 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.9 m -98.18 155.33 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 25' ' ' VAL . 55.8 mt -136.99 148.13 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.874 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 tm? -116.94 114.72 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -112.45 177.53 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 45.9 tt0 -173.68 79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 24.0 t80 -37.17 130.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -115.09 109.14 47.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.554 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.05 54.61 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -174.21 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.613 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -133.89 137.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -165.4 151.82 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -122.53 154.04 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.3 tp -109.51 145.78 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.3 m 58.66 159.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.957 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -60.54 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 62.1 167.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.612 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 p 57.84 176.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.006 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? 58.94 113.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.86 138.34 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.19 118.69 15.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.01 40.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.14 164.93 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -41.74 106.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.035 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.049 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -176.3 164.1 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m 66.79 160.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.51 -117.01 3.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 t -164.18 142.57 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -163.15 152.82 15.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.26 14.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.49 -158.58 7.74 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.68 145.48 34.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.99 89.29 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.2 132.44 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 56.11 3.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -136.67 119.47 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -91.7 118.74 68.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -113.76 -49.54 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.94 -176.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.97 101.96 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.71 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.99 143.64 29.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD22 ' A' ' 96' ' ' LEU . 3.0 ptm180 -122.86 166.58 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.82 105.28 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 58' ' ' ALA . 16.2 t -97.59 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 160.09 15.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.655 HG13 HG22 ' A' ' 54' ' ' ILE . 13.5 t -136.35 148.74 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -127.49 53.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -37.46 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.59 55.94 3.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.07 42.08 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.9 mt-10 -142.63 156.66 63.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.88 30.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD23 HG12 ' A' ' 34' ' ' ILE . 21.9 tp -85.62 -34.89 21.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.25 68.26 1.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 86' ' ' ILE . 1.1 pt -151.16 152.66 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -109.25 141.39 41.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -133.83 151.15 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -138.97 148.71 23.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -100.64 146.23 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . -104.65 145.28 15.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -38.5 -66.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.84 -147.88 4.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.1 -148.21 8.53 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 mm -101.77 139.69 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 70.4 m-85 -132.41 141.1 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.07 127.9 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -98.62 -22.28 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tttt 179.74 172.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 34' ' ' ILE . 1.5 p -152.75 140.52 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 m -102.58 157.68 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -90.26 158.18 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 55.53 17.48 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.573 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 1.1 m -104.95 12.23 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.655 HG22 HG13 ' A' ' 25' ' ' VAL . 5.8 mm 85.96 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -51.14 -66.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -45.87 -49.79 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.55 -39.46 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.674 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -68.21 -29.49 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 55.22 1.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.47 143.72 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.91 172.77 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 8.4 t80 -84.48 155.75 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.972 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.572 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.95 -13.18 57.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.16 115.04 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 tt0 -69.15 125.54 26.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.78 91.23 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.888 HD12 ' CD1' ' A' ' 96' ' ' LEU . 30.1 mt -57.86 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 5.1 mt-10 -126.26 169.06 13.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 53.8 t80 -131.74 99.68 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.8 t-20 63.92 14.32 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 68' ' ' GLU . . . 118.71 -16.67 11.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.879 HG21 HG21 ' A' ' 85' ' ' ILE . 3.9 mt -69.61 134.54 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -83.21 106.62 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.13 -21.8 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -52.82 -24.89 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.2 m -122.02 44.76 2.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.2 -170.94 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 35.5 p -127.41 -171.43 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.5 pt-20 -80.53 -37.25 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.551 ' HG3' HE21 ' A' ' 81' ' ' GLN . 1.5 pt20 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.551 HE21 ' HG3' ' A' ' 80' ' ' GLN . 1.9 mp0 -75.97 -46.32 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.613 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -48.39 -55.4 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD11 ' A' ' 86' ' ' ILE . 9.9 mtp-105 -55.94 -23.87 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.18 -40.51 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.879 HG21 HG21 ' A' ' 72' ' ' ILE . 80.1 mt -67.65 -47.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 34' ' ' ILE . 4.9 pt -67.58 -21.57 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.92 12.15 70.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 24.9 mm-40 -56.77 178.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -112.63 133.05 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 165.89 112.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.299 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -43.22 -49.43 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.4 m -127.04 121.8 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.737 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.43 153.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.9 m -109.52 159.28 17.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.609 HG13 HD11 ' A' ' 93' ' ' ILE . 8.4 mt -137.16 153.9 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.888 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 tm? -118.13 116.39 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -116.39 177.76 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -174.27 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -39.9 125.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -123.85 106.82 31.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.28 3.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.564 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -139.72 -49.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' VAL . 27.1 p-80 49.7 -173.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.586 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 66.14 157.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -139.66 -58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.32 138.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.5 m -107.79 78.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -59.58 101.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.632 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.3 p -78.53 156.92 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.03 148.99 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.5 t -103.32 144.65 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.09 128.29 8.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.66 41.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -98.35 137.18 37.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.76 145.88 15.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.049 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.92 145.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.16 170.01 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.87 157.06 29.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -173.76 170.86 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.88 164.39 31.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.06 -173.37 44.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.3 160.59 27.62 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -175.26 150.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.294 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.46 79.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -176.45 166.56 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -67.97 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.1 80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -148.92 82.66 7.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.539 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.4 Cg_endo -74.99 -24.81 12.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 10.6 m-85 -173.6 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.3 -176.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.3 mt-10 -79.54 101.42 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -36.98 154.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 129.31 12.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 96' ' ' LEU . 1.9 ptm85 -106.69 174.99 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.868 ' CE1' HD13 ' A' ' 96' ' ' LEU . 9.5 m80 -123.42 91.82 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 39.0 t -77.68 114.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.665 ' HA ' HG23 ' A' ' 94' ' ' THR . 12.5 tttt -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.61 ' CG1' HG22 ' A' ' 54' ' ' ILE . 5.0 t -134.0 152.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -131.01 51.51 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.869 ' HG3' HG21 ' A' ' 54' ' ' ILE . 1.2 mtpt -40.1 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.76 -99.37 2.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.98 28.65 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -147.03 154.84 47.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.53 9.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.558 HD23 HG12 ' A' ' 34' ' ' ILE . 33.8 tp -79.0 -50.03 11.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.59 68.25 1.54 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.565 HG22 HG23 ' A' ' 49' ' ' VAL . 1.2 pt -149.33 159.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -115.86 142.74 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -134.83 151.1 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -137.93 149.42 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -98.98 146.13 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.05 -178.96 31.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 75.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mttm 65.58 40.52 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.16 -120.5 3.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.0 -154.49 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.7 mm -113.87 139.1 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 75.2 m-85 -131.02 143.57 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.3 t -68.0 127.26 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.497 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.89 -26.34 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.58 168.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 34' ' ' ILE . 2.1 p -149.26 125.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.7 m -57.12 157.26 6.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.8 t -99.52 127.58 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 87.53 -12.19 63.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ILE . 94.8 p -72.39 160.31 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.869 HG21 ' HG3' ' A' ' 27' ' ' LYS . 33.8 mm -37.66 -54.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -47.72 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 1.8 t-80 -39.15 -45.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.54 -46.52 87.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.7 -40.59 92.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 49.56 0.86 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.28 136.19 34.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.57 169.86 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.8 t80 -81.48 151.07 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.547 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.87 -16.85 49.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 91.11 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -58.31 126.61 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' HD13 ' A' ' 74' ' ' LEU . 6.9 mt -88.18 105.82 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' OE1' ' A' ' 98' ' ' GLN . 94.1 mt -74.21 -54.49 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 142.11 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.736 ' HB2' HD11 ' A' ' 74' ' ' LEU . 50.7 t80 -108.66 104.54 13.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 69' ' ' PHE . 17.8 p30 40.49 29.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PHE . . . 97.1 62.61 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.008 HG21 HD13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -147.54 148.56 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -82.79 118.36 23.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' A' ' 69' ' ' PHE . 66.5 mt -117.22 -39.11 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -43.0 -27.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -137.53 56.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.04 171.98 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.2 p -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -41.49 -36.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -65.4 -45.53 83.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -59.66 -54.1 50.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 86' ' ' ILE . . . -51.18 -58.7 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.488 ' HA ' HD11 ' A' ' 86' ' ' ILE . 30.4 mtp180 -48.26 -23.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -91.23 -54.22 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.008 HD13 HG21 ' A' ' 72' ' ' ILE . 71.5 mt -56.23 -29.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -89.77 -34.39 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.29 2.92 80.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.07 -173.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -92.0 -106.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' GLN . 6.6 m 52.56 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -46.78 -44.45 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.499 HG22 ' HE2' ' A' ' 24' ' ' LYS . 5.3 m -123.23 109.57 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.653 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.26 146.04 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.665 HG23 ' HA ' ' A' ' 24' ' ' LYS . 1.4 m -111.63 158.62 19.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' VAL . 16.0 mt -134.14 141.54 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.868 HD13 ' CE1' ' A' ' 22' ' ' HIS . 26.6 tp -113.41 83.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 174.65 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 67' ' ' LEU . 42.4 tt0 -165.28 83.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLN . 10.9 t80 -36.34 131.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.628 ' O ' HG12 ' A' ' 103' ' ' VAL . 15.1 t30 -125.34 112.85 25.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -75.0 54.55 3.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' PRO . 10.6 m80 -165.3 43.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 100' ' ' ASN . 2.4 p -151.94 73.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -125.72 93.29 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -92.45 116.33 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mt 59.33 166.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.0 p -118.59 134.66 54.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.8 p -98.92 133.52 43.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -175.95 81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.12 156.78 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 141.32 44.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.44 -57.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.27 121.06 2.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 151.02 39.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.6 t -111.07 144.65 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 87.2 p -90.9 150.05 21.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.461 HG21 ' OD1' ' A' ' 100' ' ' ASN . 7.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.83 107.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 2.4 mt-10 -40.8 159.13 0.16 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.08 150.18 37.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 19' ' ' GLU . 2.4 ptp180 -126.58 163.35 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.0 m80 -118.52 101.56 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.2 t -92.71 121.87 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -82.25 148.93 28.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.548 ' CG1' HG22 ' A' ' 54' ' ' ILE . 7.8 t -131.0 130.82 64.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.59 71.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.866 ' HD3' HG21 ' A' ' 54' ' ' ILE . 1.4 mmtt -54.45 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . 77.98 42.9 15.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 79.12 41.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.733 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -144.7 158.07 54.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.77 15.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 HD23 HG12 ' A' ' 34' ' ' ILE . 22.1 tp -87.36 -50.2 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 76.7 69.47 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.842 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -152.35 148.73 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -101.3 142.78 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.678 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -134.97 150.2 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -136.15 149.19 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -100.25 147.0 26.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.2 mm -100.88 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -132.59 140.28 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 62' ' ' TYR . 50.7 t -68.22 126.08 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.568 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -100.24 -20.02 16.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -175.22 165.72 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.842 HG23 HG22 ' A' ' 34' ' ' ILE . 3.2 p -150.3 100.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -44.83 131.05 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.725 HG13 ' CE1' ' A' ' 56' ' ' HIS . 49.3 t -84.6 129.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 98.93 -8.85 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' ILE . 3.9 m -89.55 166.86 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.866 HG21 ' HD3' ' A' ' 27' ' ' LYS . 46.3 mm -38.5 -62.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.84 -67.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.725 ' CE1' HG13 ' A' ' 51' ' ' VAL . 6.1 t-80 -37.51 -57.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.47 -47.13 38.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -39.06 82.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.77 48.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.3 mt -96.21 146.95 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -135.7 169.86 16.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 6.3 t80 -74.13 151.47 40.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.517 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 92.05 -30.14 6.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.69 104.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.37 121.46 18.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.15 111.38 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.565 HD11 ' OE1' ' A' ' 98' ' ' GLN . 64.2 mt -81.79 -56.28 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.67 142.74 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.827 ' CD2' HG22 ' A' ' 85' ' ' ILE . 44.6 t80 -112.23 100.55 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.402 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 62.9 13.62 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.23 -45.1 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 85' ' ' ILE . 1.6 mt -44.84 158.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 7.7 t-20 -106.05 106.81 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.747 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.3 mm? -74.55 -27.36 60.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.36 -26.68 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.38 -27.8 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -56.71 135.23 55.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -87.42 170.85 11.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -58.92 -38.41 78.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 19.5 pt20 -69.7 -36.24 75.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 80' ' ' GLN . 37.3 mt-30 -77.24 -47.57 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -56.4 -41.77 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.97 -17.27 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -99.43 -54.92 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.827 HG22 ' CD2' ' A' ' 69' ' ' PHE . 14.5 mt -44.09 -47.94 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.545 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.1 pt -70.93 -32.7 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -90.48 41.7 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.89 -174.36 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.441 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -117.44 95.55 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.02 113.19 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -41.45 -52.73 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.8 m -127.68 123.79 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.28 147.34 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.3 m -108.51 165.18 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.7 143.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 20' ' ' PRO . 31.1 tp -112.22 90.19 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.62 175.4 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.565 ' OE1' HD11 ' A' ' 67' ' ' LEU . 47.4 tt0 -171.37 80.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 60.1 t80 -36.92 131.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.461 ' OD1' HG21 ' A' ' 17' ' ' VAL . 2.0 m-20 -127.6 115.94 21.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 2.0 mt-10 -49.87 107.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -39.21 153.27 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -74.93 145.63 31.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.606 ' O ' HD12 ' A' ' 96' ' ' LEU . 6.8 ptm180 -125.4 171.69 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.6 m80 -120.74 102.17 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -89.73 120.84 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -82.88 150.97 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.572 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.7 t -131.38 134.13 61.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 67.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.69 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 -65.45 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -168.31 35.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.48 158.82 74.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.62 36.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.707 HD23 ' CG1' ' A' ' 34' ' ' ILE . 11.2 tp -71.94 -60.38 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 59.41 2.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.098 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG1' HD23 ' A' ' 32' ' ' LEU . 1.1 pp -145.41 142.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -99.67 144.26 28.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.6 pp -134.47 154.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.54 148.44 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -102.32 147.02 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 mm -123.54 136.0 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -130.87 135.67 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.95 124.99 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -94.2 -22.73 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.19 169.58 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.676 HG23 HG22 ' A' ' 34' ' ' ILE . 2.4 p -150.58 118.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 51' ' ' VAL . 86.6 m -53.39 169.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.6 p -110.29 144.72 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.53 14.44 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ILE . 1.1 m -102.9 161.96 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.779 HG21 ' HD2' ' A' ' 27' ' ' LYS . 47.6 mm -38.55 -65.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.616 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -39.7 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 32.7 t-80 -41.28 -46.73 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.61 -42.64 97.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.549 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -59.86 -35.22 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 45.8 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.0 173.86 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.46 174.81 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 5.1 t80 -85.13 148.28 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 91.02 -18.39 51.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.84 105.63 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -72.62 125.95 28.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.59 107.41 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD11 ' OE1' ' A' ' 98' ' ' GLN . 60.0 mt -80.56 -48.03 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 16.7 mt-10 -151.91 133.24 14.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.632 ' CD1' HG22 ' A' ' 85' ' ' ILE . 41.0 t80 -104.28 105.06 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.408 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 58.67 17.03 4.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.4 -44.39 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.01 HG21 HD13 ' A' ' 85' ' ' ILE . 1.9 mt -40.41 145.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.41 100.66 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 2.9 mm? -69.36 -46.85 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 22.5 mtt180 -39.65 111.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 85.29 33.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -105.35 154.34 20.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 p -98.65 147.92 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.45 -40.98 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.475 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.3 pp0? -64.92 -32.84 74.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' THR . 11.8 mt-30 -72.19 -50.26 29.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -53.74 -56.59 16.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -49.8 -22.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 80' ' ' GLN . 15.5 mt -90.43 -52.43 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.01 HD13 HG21 ' A' ' 72' ' ' ILE . 77.5 mt -55.1 -51.41 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.571 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.5 pt -68.72 -39.52 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.2 42.83 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.443 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 2.8 mt-30 -102.99 -173.06 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -106.49 144.19 33.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.06 112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.332 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -46.53 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -130.79 124.29 31.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.505 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -135.06 148.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.0 m -107.12 168.37 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.44 138.14 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 21' ' ' ARG . 57.9 tp -108.4 88.62 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.84 176.53 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.543 ' OE1' HD11 ' A' ' 67' ' ' LEU . 41.0 tt0 -175.35 82.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -37.54 142.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -140.03 115.24 7.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG23 ' CD ' ' A' ' 101' ' ' PRO . 8.3 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -47.58 109.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 156.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.72 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -74.99 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.572 1.828 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -103.4 160.03 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.8 m80 -116.31 110.01 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.84 126.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -85.96 150.75 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 32' ' ' LEU . 12.8 t -133.07 132.41 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.83 73.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HG2' HG21 ' A' ' 54' ' ' ILE . 12.6 mmtt -55.83 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 -61.8 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 p -163.74 32.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 1.6 mm-40 -146.27 158.04 48.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 12.8 tp -74.1 -54.35 8.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.44 62.96 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.76 143.34 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -93.06 146.49 23.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.806 HD11 ' HG3' ' A' ' 83' ' ' ARG . 2.8 pp -135.63 159.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -145.35 149.18 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -100.83 149.31 23.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.615 HD11 ' C ' ' A' ' 78' ' ' THR . 14.3 mm -98.1 138.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 89.8 m-85 -127.34 138.45 53.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 44.3 t -65.38 127.92 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -99.67 -24.08 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.511 HG23 HG22 ' A' ' 34' ' ' ILE . 1.4 p -143.79 125.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -63.5 125.24 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 56' ' ' HIS . 53.4 t -75.39 125.21 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.87 -5.02 68.9 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -86.81 164.04 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.576 HG22 ' CG1' ' A' ' 25' ' ' VAL . 42.0 mm -38.14 -63.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.646 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -39.38 -65.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 t-80 -37.69 -52.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -55.09 -47.1 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.46 -43.37 93.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.06 49.47 0.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.73 152.58 20.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.57 172.0 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -83.59 153.54 24.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.576 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.85 -12.66 56.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.31 87.66 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.2 tt0 -54.53 119.01 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.03 113.45 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD11 ' OE1' ' A' ' 98' ' ' GLN . 66.8 mt -83.73 -53.48 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 14.1 mt-10 -143.53 144.17 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.915 ' CD2' HG22 ' A' ' 85' ' ' ILE . 49.7 t80 -116.89 91.35 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.419 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.3 t-20 69.48 8.86 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.96 -43.99 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.85 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -52.27 123.95 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -73.93 114.89 12.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.0 mm? -77.75 -28.46 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -55.17 -33.82 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -12.49 19.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -74.43 158.82 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.615 ' C ' HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -107.78 -171.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.406 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.626 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.3 pt-20 -75.76 -35.97 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -75.84 -44.19 42.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.456 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.1 OUTLIER -66.57 -44.11 83.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.07 79.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.806 ' HG3' HD11 ' A' ' 36' ' ' ILE . 31.4 mtp85 -69.31 -13.87 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.1 -54.7 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.915 HG22 ' CD2' ' A' ' 69' ' ' PHE . 15.0 mt -45.04 -48.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.9 pt -70.73 -29.65 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -89.47 32.42 4.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -93.08 -174.11 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -111.71 130.34 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.03 109.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -49.22 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 m -130.38 125.09 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.695 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.31 151.0 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -108.45 165.37 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.481 HG13 HD11 ' A' ' 93' ' ' ILE . 26.5 mt -139.45 140.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.794 HD13 ' CE1' ' A' ' 22' ' ' HIS . 51.6 tp -112.03 99.77 8.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.42 170.41 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.478 ' OE1' HD11 ' A' ' 67' ' ' LEU . 54.5 tt0 -164.07 77.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -40.42 134.67 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -126.88 114.13 22.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.543 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.8 mm-40 -78.37 101.33 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.9 mt-10 -38.58 157.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.0 138.23 22.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -112.91 169.84 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.551 ' CE1' HD13 ' A' ' 96' ' ' LEU . 6.5 m80 -124.67 82.14 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.637 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 21' ' ' ARG . 93.9 t -78.02 130.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -93.19 159.18 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.522 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 25.4 t -133.8 133.85 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.63 68.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.674 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -54.42 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.96 -68.84 2.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -164.42 39.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.85 162.12 56.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.678 HD23 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -89.11 -54.02 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.49 62.43 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.678 ' CG1' HD23 ' A' ' 32' ' ' LEU . 1.3 pt -142.13 145.29 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -107.97 142.1 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.579 HD13 HD12 ' A' ' 44' ' ' ILE . 2.5 pp -134.28 156.23 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 9.6 m -140.39 156.38 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -109.08 146.4 34.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.047 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.579 HD12 HD13 ' A' ' 36' ' ' ILE . 17.1 mm -121.02 132.5 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -124.72 138.57 54.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 41.4 t -67.05 124.67 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.51 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 1.4 t -95.12 -24.47 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.86 172.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 34' ' ' ILE . 2.3 p -154.26 120.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 m -57.7 149.71 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.683 HG23 ' NE2' ' A' ' 56' ' ' HIS . 4.3 p -93.63 134.81 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.21 -31.67 5.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -60.54 163.31 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.674 HG21 ' CD ' ' A' ' 27' ' ' LYS . 42.9 mm -39.52 -58.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.633 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -38.65 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.683 ' NE2' HG23 ' A' ' 51' ' ' VAL . 2.9 t-80 -38.82 -58.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -47.41 -44.82 24.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.54 -41.84 97.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 44.5 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 60' ' ' LEU . 18.7 mt -84.08 157.99 21.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.03 167.21 23.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.9 t80 -81.11 154.35 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.18 -5.35 63.36 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 94.11 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -59.84 120.82 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.31 102.25 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD11 ' OE1' ' A' ' 98' ' ' GLN . 34.1 mt -75.15 -47.43 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HB2' HD23 ' A' ' 96' ' ' LEU . 23.5 mt-10 -148.89 146.09 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.598 ' CD1' HG22 ' A' ' 85' ' ' ILE . 27.7 t80 -127.27 107.89 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.29 12.83 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.93 4.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.906 HG21 HD13 ' A' ' 85' ' ' ILE . 1.8 mt -115.38 119.46 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.588 HD22 HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -60.65 -47.26 87.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' SER . 6.3 mtp180 -38.1 116.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 86.04 26.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -100.85 137.58 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.4 p -83.06 141.85 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -40.76 -35.93 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.554 ' O ' HD12 ' A' ' 84' ' ' LEU . 4.8 mt-30 -67.0 -46.9 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -58.99 -54.96 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -49.32 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' ALA . 43.3 mtm180 -38.64 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 80' ' ' GLN . 5.3 mt -86.5 -55.97 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.906 HD13 HG21 ' A' ' 72' ' ' ILE . 64.0 mt -52.34 -50.37 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.517 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.2 pt -71.27 -40.99 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.05 44.64 3.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -103.16 -173.4 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -106.37 147.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.89 112.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -44.38 -48.79 9.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.0 m -131.44 126.11 34.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -136.35 149.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.4 m -107.83 165.47 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.57 148.16 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 22' ' ' HIS . 10.3 tp -120.78 91.5 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.3 177.6 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.578 ' OE1' HD11 ' A' ' 67' ' ' LEU . 50.6 tt0 -172.23 77.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -37.27 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -136.24 119.84 12.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -47.99 108.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.31 159.32 0.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.694 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -75.01 148.5 35.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.464 ' HG3' HG23 ' A' ' 23' ' ' VAL . 1.4 ptp180 -126.67 163.79 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.4 m80 -117.45 103.43 10.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' A' ' 21' ' ' ARG . 42.1 t -100.03 120.21 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -81.37 156.61 25.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.579 ' CG1' HG22 ' A' ' 54' ' ' ILE . 25.4 t -135.05 137.31 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -112.03 72.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.861 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -59.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.99 -61.14 0.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -170.71 34.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 3.9 mm-40 -138.94 159.21 67.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.947 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 13.3 tp -67.48 -59.81 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 87.92 57.23 1.95 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.899 HG22 HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -151.3 145.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -101.09 145.03 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.513 HD13 HD12 ' A' ' 44' ' ' ILE . 2.7 pp -136.67 154.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 4.3 m -134.05 152.3 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -102.37 146.79 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD12 HD13 ' A' ' 36' ' ' ILE . 21.4 mm -137.87 135.49 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 51.2 m-85 -137.97 133.25 33.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.32 134.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.05 -20.19 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 162.84 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -127.43 161.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.446 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 93.1 m -107.9 132.65 53.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.85 136.44 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.69 24.55 71.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -106.33 155.44 19.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.861 HG21 ' HD2' ' A' ' 27' ' ' LYS . 34.5 mm -40.14 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.947 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -39.74 -57.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -43.51 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ILE . 37.0 mt-30 -62.02 -41.88 98.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -60.32 -31.84 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.82 41.08 2.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -84.48 -177.24 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.12 166.0 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.8 t80 -75.74 151.41 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.99 -13.85 58.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.56 103.47 5.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 2.8 tt0 -67.65 131.13 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.3 123.57 35.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.59 -57.89 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -142.34 144.86 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.646 ' CD1' HG22 ' A' ' 85' ' ' ILE . 37.2 t80 -114.92 106.33 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.1 m-20 56.12 19.12 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.27 -36.66 3.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.899 HD13 HG23 ' A' ' 85' ' ' ILE . 1.2 mt -48.44 149.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -98.7 92.69 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 74' ' ' LEU . 26.4 mt -75.91 -24.63 55.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -22.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.11 51.12 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.54 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.457 ' C ' HD11 ' A' ' 44' ' ' ILE . 71.0 p -83.86 -179.69 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.6 pt-20 -74.36 -37.97 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -67.18 -44.91 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.455 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.1 OUTLIER -65.91 -41.55 91.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -64.62 -40.84 96.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -65.07 -10.81 33.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.22 -54.04 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.899 HG23 HD13 ' A' ' 72' ' ' ILE . 14.7 mt -49.52 -39.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.578 ' HB ' HD22 ' A' ' 32' ' ' LEU . 4.8 pt -78.01 -31.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.44 25.74 10.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -91.84 -173.23 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -105.86 145.37 31.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.82 104.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 108.266 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.08 -43.19 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.6 m -136.11 121.96 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.458 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -130.88 144.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.7 m -106.33 154.85 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 83.9 mt -132.71 140.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 20' ' ' PRO . 58.4 tp -111.0 85.63 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.46 169.2 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -160.91 79.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -38.07 126.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -133.74 115.95 13.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.977 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.5 mm-40 -80.73 101.01 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 4.7 mm-40 -38.49 156.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.618 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.96 124.45 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -104.21 171.75 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.45 ' CE1' HD13 ' A' ' 96' ' ' LEU . 3.1 m80 -123.66 85.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.625 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.534 HG23 ' HG3' ' A' ' 21' ' ' ARG . 48.0 t -79.35 119.54 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -81.74 160.92 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 54' ' ' ILE . 27.2 t -135.28 136.2 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 mt-30 -111.72 68.99 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -56.47 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.18 -69.42 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.78 36.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -139.18 162.23 53.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.541 HD23 HG12 ' A' ' 34' ' ' ILE . 15.9 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 76.25 67.74 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.693 HD11 HD12 ' A' ' 86' ' ' ILE . 1.1 pt -152.53 161.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -115.72 143.04 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.463 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.7 pp -133.58 149.15 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -135.33 148.53 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -100.7 146.97 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.4 mm -125.11 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 82.4 m-85 -128.79 141.12 51.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.53 125.12 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.514 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -94.26 -22.7 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.48 172.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG23 HG22 ' A' ' 34' ' ' ILE . 2.1 p -150.84 113.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -55.58 149.68 13.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.797 HG23 ' CE1' ' A' ' 56' ' ' HIS . 4.0 p -93.51 135.74 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.92 -24.24 13.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -68.84 159.29 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.506 HG21 ' HD2' ' A' ' 27' ' ' LYS . 32.1 mm -40.11 -59.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.64 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.797 ' CE1' HG23 ' A' ' 51' ' ' VAL . 1.1 t-80 -37.04 -57.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.66 -47.6 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.26 -34.58 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' HIS . . . 98.6 41.98 3.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.04 156.8 26.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -145.88 165.01 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 6.9 t80 -77.79 151.98 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.31 -13.31 55.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.7 tt0 -60.99 117.25 5.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -74.57 107.97 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 mt -76.54 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 42.9 mt-10 -146.47 121.62 10.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 12.5 t80 -94.34 114.36 26.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.96 14.68 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.68 37.38 5.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 85' ' ' ILE . 4.6 mt -116.14 125.0 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -56.96 97.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 69' ' ' PHE . 13.5 mt -94.72 -26.59 16.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -48.36 -23.59 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 m -127.88 53.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.27 159.88 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.468 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 82.1 p -97.47 -176.75 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.5 pt-20 -75.62 -37.51 59.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -66.57 -47.41 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.255 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -50.4 -64.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -30.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 82' ' ' ALA . 8.1 mt -84.31 -52.7 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.749 HD13 HG21 ' A' ' 72' ' ' ILE . 49.8 mt -54.41 -55.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.693 HD12 HD11 ' A' ' 34' ' ' ILE . 3.0 pt -66.83 -36.4 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.61 41.78 3.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.79 -173.83 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -113.3 143.82 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 161.65 121.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -49.34 -50.2 40.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.8 m -129.27 122.9 30.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.37 144.14 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.9 m -103.74 156.29 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -132.42 141.03 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 21' ' ' ARG . 57.5 tp -109.73 90.7 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.56 161.99 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' TYR . 23.5 tt0 -159.36 75.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 20.8 t80 -37.78 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -145.92 118.12 5.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.957 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.54 HG13 ' NE2' ' A' ' 98' ' ' GLN . 14.6 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 5.9 mt-10 -41.12 107.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.3 mt-10 -37.59 156.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.98 131.07 13.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' HD22 ' A' ' 96' ' ' LEU . 5.3 ptm180 -105.52 169.4 8.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' CD2' ' A' ' 96' ' ' LEU . 1.9 m80 -118.62 107.56 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.37 120.24 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.518 ' HG2' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -82.48 154.05 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.605 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 27.5 t -134.23 135.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.63 72.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.946 ' HG3' HG21 ' A' ' 54' ' ' ILE . 14.8 mttt -64.07 -100.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.81 -70.23 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.04 32.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -145.76 157.79 50.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.554 ' CD1' HG11 ' A' ' 25' ' ' VAL . 13.3 tp -75.46 -54.01 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 64.59 1.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.688 HG22 HG23 ' A' ' 49' ' ' VAL . 1.3 pt -147.69 145.67 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -98.66 142.96 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 79' ' ' GLU . 2.6 pp -132.15 160.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -150.62 148.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -99.99 148.59 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.715 HD11 ' C ' ' A' ' 78' ' ' THR . 17.7 mm -127.05 132.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 65' ' ' GLN . 91.2 m-85 -119.76 146.82 45.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -76.32 121.89 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.474 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -94.31 -19.2 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.12 169.54 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.688 HG23 HG22 ' A' ' 34' ' ' ILE . 2.6 p -149.27 102.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -38.59 142.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.472 HG13 ' CE1' ' A' ' 56' ' ' HIS . 70.5 t -93.07 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 92.32 -5.31 77.85 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.7 167.46 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.946 HG21 ' HG3' ' A' ' 27' ' ' LYS . 46.4 mm -38.94 -64.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.522 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -37.99 -65.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.472 ' CE1' HG13 ' A' ' 51' ' ' VAL . 1.9 t-80 -38.47 -52.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.89 -45.94 78.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.18 -45.01 94.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.66 48.8 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 60' ' ' LEU . 15.4 mt -91.47 152.95 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.89 172.74 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.1 t80 -86.53 154.67 20.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 82.88 -9.21 60.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.0 92.55 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 2.1 tt0 -59.21 133.32 55.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.33 122.88 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 96' ' ' LEU . 9.7 mt -97.99 -40.86 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LEU . 55.5 mt-10 -148.86 139.05 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.548 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.4 t80 -115.93 105.05 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 3.9 t-20 58.86 16.31 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.86 -32.2 4.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.888 HD13 HG23 ' A' ' 85' ' ' ILE . 2.6 mt -50.23 162.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.476 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 2.5 t30 -107.95 105.19 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 69' ' ' PHE . 4.0 mm? -79.68 -41.62 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.62 -29.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -120.17 45.51 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -125.13 -176.43 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.715 ' C ' HD11 ' A' ' 44' ' ' ILE . 43.6 p -135.31 -177.91 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.6 pt-20 -69.59 -35.46 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 81' ' ' GLN . 18.4 pt20 -70.25 -51.89 27.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.457 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.2 OUTLIER -56.36 -59.31 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . . . -42.6 -63.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -41.49 -35.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.09 -43.96 18.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.888 HG23 HD13 ' A' ' 72' ' ' ILE . 55.7 mt -58.11 -57.5 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 13.5 pt -64.39 -30.9 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.97 37.0 3.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -99.41 -174.23 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -112.97 142.06 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 166.29 122.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -52.95 -48.62 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.7 m -132.95 123.18 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.733 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -133.33 152.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 24' ' ' LYS . 3.5 m -108.38 162.69 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.616 HG13 HD11 ' A' ' 93' ' ' ILE . 36.1 mt -139.99 141.19 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.732 HD11 HD12 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -110.85 113.78 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.641 ' N ' HD13 ' A' ' 96' ' ' LEU . . . -123.1 176.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.54 ' NE2' HG13 ' A' ' 17' ' ' VAL . 29.2 tt0 -171.83 93.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -43.25 138.19 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -126.7 113.56 22.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.51 106.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 159.69 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.543 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.01 155.6 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG3' HG23 ' A' ' 23' ' ' VAL . 2.5 ptp180 -132.2 157.11 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.751 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.4 m80 -114.41 102.79 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.469 HG23 ' HG3' ' A' ' 21' ' ' ARG . 43.3 t -97.63 125.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 158.43 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.5 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 23.7 t -133.11 134.32 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.79 68.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -57.19 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.01 -67.4 1.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.64 37.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -141.9 161.38 51.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.9 21.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 34' ' ' ILE . 17.8 tp -79.05 -55.13 5.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 78.48 68.12 1.53 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.894 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -153.97 150.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.75 150.3 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.06 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 79' ' ' GLU . 2.4 pp -141.26 153.44 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -139.79 149.26 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -102.03 147.03 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 18.8 mm -117.59 137.61 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 69.5 m-85 -127.14 143.96 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.03 129.95 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -103.37 -15.32 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.32 166.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.894 HG23 HG22 ' A' ' 34' ' ' ILE . 3.4 p -150.5 114.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.5 m -54.99 144.92 21.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -97.13 128.78 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 2.26 62.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ILE . 56.2 m -100.54 168.43 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.667 HG21 ' HD2' ' A' ' 27' ' ' LYS . 40.2 mm -39.44 -62.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.517 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.2 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -39.83 -49.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -57.62 -43.66 84.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -63.6 -37.21 86.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 54.71 0.82 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.1 mt -98.33 166.25 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -159.07 167.15 30.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.3 t80 -79.53 154.33 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.6 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.62 -12.03 60.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.99 97.64 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.3 tt0 -64.03 125.19 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.37 108.53 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 67' ' ' LEU . 23.2 mt -78.11 -55.02 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 3.6 mt-10 -144.88 139.98 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.829 ' CD1' HG22 ' A' ' 85' ' ' ILE . 47.1 t80 -111.54 102.56 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.413 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 57.88 17.8 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.44 -39.42 2.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.799 HD13 HG23 ' A' ' 85' ' ' ILE . 1.9 mt -54.12 129.69 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -80.25 114.56 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.3 mm? -81.29 -37.27 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -41.51 -34.96 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -99.33 -34.45 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.724 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -53.18 146.03 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 67.1 p -94.23 -170.84 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.0 pt-20 -74.28 -37.83 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -72.28 -43.0 64.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -67.8 -40.44 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.25 99.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -63.45 -13.14 37.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.53 -54.89 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.829 HG22 ' CD1' ' A' ' 69' ' ' PHE . 17.7 mt -47.14 -50.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.6 pt -67.66 -35.41 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.84 44.52 3.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.19 -173.87 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.3 94.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.45 119.15 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.95 -51.28 9.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.8 m -132.54 125.58 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.749 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -134.43 152.3 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -109.62 162.36 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.444 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.557 HG13 HD11 ' A' ' 93' ' ' ILE . 72.4 mt -137.68 139.57 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 22' ' ' HIS . 56.8 tp -111.8 96.56 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.31 171.46 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -162.04 80.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -37.39 136.53 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -133.46 118.62 14.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' GLU . 3.0 mt-10 -80.04 101.45 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.47 151.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.707 ' HB3' HD11 ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.95 95.48 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.734 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.9 ptm85 -80.31 155.87 27.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CE1' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -104.91 89.23 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.549 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 60.2 t -70.69 123.56 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -85.51 157.06 20.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.852 HG11 ' CD1' ' A' ' 32' ' ' LEU . 6.8 t -134.32 131.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.38 69.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -53.08 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.44 -57.24 5.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -148.22 151.79 37.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.28 31.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.852 ' CD1' HG11 ' A' ' 25' ' ' VAL . 9.7 tp -66.66 -60.76 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.56 57.63 2.71 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.833 HG22 HG23 ' A' ' 49' ' ' VAL . 2.0 pt -138.35 140.51 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.67 150.68 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.666 HD13 HD12 ' A' ' 44' ' ' ILE . 2.6 pp -140.15 153.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG13 ' CB ' ' A' ' 47' ' ' SER . 2.4 m -136.8 148.82 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -100.41 145.69 27.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 36' ' ' ILE . 25.4 mm -118.85 132.35 68.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -127.59 136.9 52.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.53 126.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -103.44 -15.69 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.18 161.96 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.833 HG23 HG22 ' A' ' 34' ' ' ILE . 3.1 p -151.66 104.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 m -42.68 144.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.27 135.91 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 89.0 -30.13 5.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 167.98 10.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 43.7 mm -39.56 -57.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.744 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -37.33 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 4.1 t-80 -39.05 -55.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.644 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -51.46 -46.89 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.73 36.68 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.29 137.84 32.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -126.91 172.64 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 8.5 t80 -81.22 152.51 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.483 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.01 -16.87 44.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.18 114.67 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.32 123.96 28.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.09 127.1 34.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.882 HD12 HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -90.88 -56.37 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 mp0 -142.56 157.16 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.755 ' CD1' HG22 ' A' ' 85' ' ' ILE . 42.2 t80 -122.92 104.41 9.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 59.64 17.97 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.78 -32.41 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.693 HD13 HG23 ' A' ' 85' ' ' ILE . 4.8 mt -59.25 133.61 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -73.88 127.18 32.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 77' ' ' ALA . 7.7 mt -111.85 -33.2 6.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -43.51 -27.29 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -130.41 51.37 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HB3' HD23 ' A' ' 74' ' ' LEU . . . -118.83 157.03 28.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 p -94.53 153.56 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 3.7 pt-20 -51.59 -23.83 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -82.02 -57.39 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.514 ' N ' HE21 ' A' ' 81' ' ' GLN . 0.0 OUTLIER -58.35 -32.62 68.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -68.82 -44.34 73.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.547 ' HA ' HD11 ' A' ' 86' ' ' ILE . 77.4 mtm180 -68.16 -8.0 34.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.759 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -98.92 -54.26 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.755 HG22 ' CD1' ' A' ' 69' ' ' PHE . 20.2 mt -51.48 -53.26 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.0 pt -60.37 -23.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 9.89 71.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 8.0 mm-40 -62.96 -174.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.477 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -131.54 119.01 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -170.37 123.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.57 -51.58 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.1 m -126.78 117.96 23.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.43 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -128.39 141.47 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -98.24 154.1 18.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.502 ' CD1' HG21 ' A' ' 25' ' ' VAL . 76.5 mt -134.89 143.45 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.4 107.31 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -111.54 164.64 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HB2' HD11 ' A' ' 67' ' ' LEU . 38.5 tt0 -155.62 78.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.24 125.31 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -122.99 115.01 29.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 17' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.45 105.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -37.74 155.81 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.589 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.04 141.21 26.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD22 ' A' ' 96' ' ' LEU . 14.0 ptm180 -110.61 163.92 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -114.22 95.11 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG23 ' HG3' ' A' ' 21' ' ' ARG . 75.6 t -86.05 120.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -86.17 153.16 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 54' ' ' ILE . 19.1 t -131.74 132.34 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.05 70.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.781 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -60.8 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.86 -67.27 2.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -159.85 40.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.22 157.1 57.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 HG12 ' A' ' 34' ' ' ILE . 14.2 tp -78.24 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.73 61.21 2.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.729 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -147.5 151.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -109.95 143.57 39.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.608 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -132.4 150.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.5 m -137.1 151.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -104.48 148.39 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 16.3 mm -127.6 141.16 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 77.1 m-85 -126.3 150.33 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 66' ' ' LEU . 54.8 t -77.61 128.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -99.71 -20.44 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 167.62 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.729 HG23 HG22 ' A' ' 34' ' ' ILE . 2.5 p -149.97 113.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -55.58 134.45 50.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 76.6 t -85.86 131.46 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.99 -14.64 64.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -82.73 165.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.781 HG21 ' HD2' ' A' ' 27' ' ' LYS . 32.3 mm -38.49 -59.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.84 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ALA . 11.8 t-80 -37.3 -56.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -49.57 -46.35 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.91 -44.53 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.57 46.32 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 60' ' ' LEU . 17.5 mt -85.83 153.99 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -144.22 163.98 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.9 t80 -80.24 154.88 27.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 76.82 -1.54 62.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 89.29 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.6 tt0 -48.8 133.11 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 46' ' ' VAL . 8.7 mt -88.86 113.92 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.876 HD12 ' CD1' ' A' ' 96' ' ' LEU . 15.3 mt -82.14 -71.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 19.5 mt-10 -134.73 137.81 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 54.7 t80 -106.06 99.14 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.432 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 58.09 17.57 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.86 -44.57 1.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.696 HG21 HD13 ' A' ' 85' ' ' ILE . 3.8 mt -50.78 129.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -82.04 120.29 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 69' ' ' PHE . 4.5 mm? -85.74 -40.25 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 2.5 mtp-105 -38.08 -35.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.23 57.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.31 173.36 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.3 p -124.16 149.45 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.456 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -44.82 -38.11 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.79 -38.56 86.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.57 -54.57 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -46.32 -41.78 13.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -65.58 -34.17 77.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' GLN . 13.0 mt -78.44 -39.6 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.696 HD13 HG21 ' A' ' 72' ' ' ILE . 41.9 mt -63.13 -64.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.581 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.4 pt -53.0 -24.72 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.23 15.82 61.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.7 mm-40 -66.06 -174.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.98 124.38 39.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.83 124.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.88 -53.79 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.2 m -130.44 122.22 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.61 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -130.31 147.55 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 m -108.4 158.12 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.458 HG13 HD11 ' A' ' 93' ' ' ILE . 11.8 mt -139.65 147.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.876 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.8 tm? -114.71 115.13 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -115.18 176.73 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -169.28 90.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -38.97 135.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -126.46 106.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.938 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.5 mt-10 -59.35 108.25 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' GLU . 6.3 mt-10 -37.01 154.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.99 148.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -128.11 164.11 23.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.0 m80 -115.15 99.76 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.24 123.75 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -86.75 152.97 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.666 HG11 ' CD1' ' A' ' 32' ' ' LEU . 8.4 t -133.68 131.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 71.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HE2' HD13 ' A' ' 32' ' ' LEU . 12.9 mmtt -55.83 -71.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.38 -59.02 4.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -165.93 34.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -147.24 153.56 44.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.19 10.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.666 ' CD1' HG11 ' A' ' 25' ' ' VAL . 12.5 tp -77.11 -53.97 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.32 59.67 3.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.648 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.4 pt -141.01 139.57 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -93.41 143.41 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.7 pp -136.26 146.84 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.796 HG13 ' HB3' ' A' ' 47' ' ' SER . 3.1 m -124.56 149.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -101.1 147.06 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -107.07 142.52 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -132.98 137.77 46.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.88 133.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.796 ' HB3' HG13 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -106.46 -20.77 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 169.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.554 HG23 HG22 ' A' ' 34' ' ' ILE . 1.7 p -147.12 119.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -57.07 135.08 56.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.43 129.2 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.71 -23.67 31.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 p -70.31 166.18 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.516 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 39.2 mm -40.75 -55.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.648 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -40.63 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -40.45 -42.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.35 -42.65 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 25' ' ' VAL . . . -60.54 -37.84 82.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.26 44.25 2.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.75 148.69 21.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.78 172.83 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 7.2 t80 -82.84 155.69 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.566 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.0 -10.29 60.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.37 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -74.98 125.34 28.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.1 116.19 23.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.4 mt -87.54 -51.7 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -138.34 153.09 48.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.6 ' CD2' HG22 ' A' ' 85' ' ' ILE . 60.4 t80 -126.62 96.13 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.37 11.11 8.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.09 -27.49 5.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.745 HG21 HD13 ' A' ' 85' ' ' ILE . 1.8 mt -60.58 141.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.69 100.22 11.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 74' ' ' LEU . 13.2 mt -82.04 -24.51 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -45.49 -27.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -129.8 62.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.98 155.12 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 p -97.09 147.4 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -41.28 8.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.647 ' O ' HD12 ' A' ' 84' ' ' LEU . 10.8 pt20 -64.33 -39.65 94.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.34 -47.77 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -50.76 -56.08 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HA ' HD11 ' A' ' 86' ' ' ILE . 96.4 mtt180 -50.83 -27.17 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 80' ' ' GLN . 6.4 mt -85.47 -56.1 3.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.745 HD13 HG21 ' A' ' 72' ' ' ILE . 62.3 mt -48.19 -41.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.4 pt -79.86 -35.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.18 35.95 3.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 3.3 mt-30 -98.22 -173.91 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.526 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 1.8 pm0 -103.55 143.48 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.49 107.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.01 -46.9 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.8 m -132.07 127.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -139.04 146.39 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 m -106.87 157.55 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.424 HG13 HD11 ' A' ' 93' ' ' ILE . 6.4 mt -132.52 140.36 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.584 HD13 ' CE1' ' A' ' 22' ' ' HIS . 20.8 tp -111.3 83.22 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.69 175.86 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -169.45 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -37.52 127.29 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.554 ' OD1' HG21 ' A' ' 17' ' ' VAL . 1.3 t30 -134.47 118.7 13.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 17' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG21 ' OD1' ' A' ' 100' ' ' ASN . 8.5 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.81 105.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -40.92 155.76 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.748 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -74.99 131.71 14.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.859 ' O ' HD12 ' A' ' 96' ' ' LEU . 12.2 ptm180 -110.38 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -126.28 96.18 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -87.95 123.26 40.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -90.5 152.83 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.616 ' CG1' HG22 ' A' ' 54' ' ' ILE . 15.7 t -134.53 132.66 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -106.3 70.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -49.62 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.49 59.89 3.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -145.53 159.39 48.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 34' ' ' ILE . 21.3 tp -105.42 -46.94 4.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' C ' ' HG1' ' A' ' 50' ' ' THR . . . 72.65 66.0 2.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.35 143.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 t -99.49 145.18 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -134.24 157.98 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -149.11 148.54 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -101.26 146.66 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.414 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 20.6 mm -118.13 133.45 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 94.1 m-85 -121.35 144.71 48.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.51 ' CG2' HD21 ' A' ' 66' ' ' LEU . 94.4 t -74.89 123.0 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.531 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -95.4 -11.14 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.67 173.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.4 p -146.73 60.47 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.2 m 28.13 -139.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 50' ' ' THR . 13.4 t -161.1 116.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 73.24 4.9 65.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -79.94 166.02 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.616 HG22 ' CG1' ' A' ' 25' ' ' VAL . 37.3 mm -36.77 -58.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.586 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -46.55 -59.39 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.424 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 16.4 t-80 -47.15 -42.99 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -68.28 -30.99 70.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.02 47.99 1.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 60' ' ' LEU . 14.7 mt -94.11 -176.58 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.73 162.68 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 4.8 t80 -76.7 149.01 36.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.481 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.41 -11.49 67.8 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 105.65 7.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' OE1' HD23 ' A' ' 67' ' ' LEU . 1.4 tm0? -65.97 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.51 HD21 ' CG2' ' A' ' 46' ' ' VAL . 12.0 mt -90.98 96.08 10.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.439 HD23 ' OE1' ' A' ' 65' ' ' GLN . 69.4 mt -64.65 -57.62 8.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.14 148.12 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.767 ' HB2' HD11 ' A' ' 74' ' ' LEU . 49.0 t80 -109.1 99.45 8.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.585 ' ND2' ' CD1' ' A' ' 69' ' ' PHE . 15.7 p30 44.74 26.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 69' ' ' PHE . . . 97.56 55.66 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.02 ' CG2' HD13 ' A' ' 85' ' ' ILE . 1.4 mt -146.17 107.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.59 121.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 69' ' ' PHE . 18.0 mt -118.53 -42.37 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -45.49 -26.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 m -123.7 36.48 4.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.53 164.03 12.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.4 p -107.74 147.64 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -43.59 -42.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HG3' ' NE2' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -60.72 -40.86 93.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.56 -52.36 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -48.02 -58.27 4.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.4 mtt85 -48.97 -27.96 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.2 -51.95 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.02 HD13 ' CG2' ' A' ' 72' ' ' ILE . 65.9 mt -55.3 -42.83 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.549 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.6 pt -75.04 -32.05 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 36.02 3.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.95 -172.38 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.441 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -114.8 118.66 34.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -167.57 105.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.293 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . 87.7 m-20 -39.28 -43.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 11.8 m -135.95 112.16 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.644 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -118.45 144.26 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -109.09 157.5 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.7 mt -133.04 147.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.859 HD12 ' O ' ' A' ' 21' ' ' ARG . 48.9 tp -117.04 85.17 2.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.04 172.18 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 34.7 tt0 -169.54 80.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 52.6 t80 -36.67 136.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.421 ' OD1' HG21 ' A' ' 17' ' ' VAL . 4.7 m-20 -132.94 116.13 14.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 23.8 mp0 -75.05 102.37 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -36.22 153.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.643 ' HB3' HD11 ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.638 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -86.79 152.21 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.502 ' CE1' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -102.35 98.66 8.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' ILE . 97.7 t -84.84 128.31 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.77 162.83 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 20.6 t -137.83 141.72 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.32 70.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 54' ' ' ILE . 1.6 mptt -62.58 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.79 -59.12 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.69 35.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' CG ' HD11 ' A' ' 54' ' ' ILE . 1.2 pm0 -147.04 158.71 44.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.52 18.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 34' ' ' ILE . 19.7 tp -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 87.97 61.77 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.741 HG22 HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -155.46 155.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.9 t -104.84 141.56 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.587 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -133.91 152.94 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -136.78 150.19 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -98.38 145.99 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.601 HD11 ' C ' ' A' ' 78' ' ' THR . 8.7 mm -122.79 144.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -140.88 132.25 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 68.8 t -56.88 133.9 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -107.25 -18.23 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.15 157.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -129.8 154.2 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.4 m -104.75 119.38 38.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.6 t -69.07 133.46 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.89 45.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.03 160.89 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 27' ' ' LYS . 45.7 mm -37.73 -62.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.56 -68.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ALA . 48.8 t-80 -38.57 -50.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.34 -46.76 82.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -31.96 69.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.27 36.84 4.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -82.44 175.53 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.94 175.16 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.3 t80 -84.49 151.34 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.513 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.06 -5.93 81.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.79 114.53 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.65 113.7 16.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.96 127.3 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 HD22 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -95.85 -57.85 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 36.2 mt-10 -133.19 177.99 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' A' ' 85' ' ' ILE . 49.1 t80 -152.29 98.03 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.5 m-20 58.63 17.92 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.69 -30.56 4.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.671 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -62.29 158.39 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.415 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 1.9 t-20 -108.7 103.76 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 79.3 mt -84.26 -23.03 30.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -20.02 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ALA . 4.3 m -119.06 -36.67 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -42.86 164.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.601 ' C ' HD11 ' A' ' 44' ' ' ILE . 1.3 p -101.75 -167.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 4.6 pt-20 -83.45 -37.76 22.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.51 72.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -36.96 55.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.587 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -67.78 -41.77 82.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -65.04 -11.64 41.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.28 -54.65 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.671 HG23 HD13 ' A' ' 72' ' ' ILE . 15.7 mt -47.16 -47.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -69.44 -32.65 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 37.11 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.45 -173.82 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -103.42 146.96 27.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.84 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.263 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -48.09 -44.42 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.1 m -134.61 116.73 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -125.65 141.03 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.2 m -97.54 152.54 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' VAL . 89.2 mt -136.88 144.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.727 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -114.16 105.51 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -107.22 173.69 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 67' ' ' LEU . 37.9 tt0 -165.37 77.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.09 127.64 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -124.55 114.68 27.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' HD3' ' A' ' 101' ' ' PRO . 15.0 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.1 mt-10 -47.2 107.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 21.1 mt-10 -38.52 156.39 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.702 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.1 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 96' ' ' LEU . 9.4 ptm180 -94.52 171.44 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.619 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.7 m80 -117.26 88.48 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.499 HG11 HD21 ' A' ' 60' ' ' LEU . 54.1 t -73.01 121.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.76 ' HG2' HG23 ' A' ' 94' ' ' THR . 0.4 OUTLIER -87.42 160.31 18.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.571 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 3.0 t -140.82 146.31 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -124.2 54.66 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HG2' HG21 ' A' ' 54' ' ' ILE . 12.0 mttt -38.74 -66.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.16 -60.01 4.26 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -165.42 36.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -148.61 150.14 32.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.33 42.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD1' HG11 ' A' ' 25' ' ' VAL . 7.9 tp -55.99 -62.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.84 56.91 2.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.839 HG22 HG13 ' A' ' 49' ' ' VAL . 1.1 pp -143.78 132.95 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.59 148.89 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.547 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.3 pp -137.72 151.15 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.2 149.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -101.97 146.02 28.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 14.8 mm -116.3 139.83 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 52.2 m-85 -132.32 144.02 50.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 61.6 t -66.36 127.27 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.501 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.66 -24.75 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.73 175.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.839 HG13 HG22 ' A' ' 34' ' ' ILE . 1.5 t -115.38 -165.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.719 ' H ' HG12 ' A' ' 49' ' ' VAL . 1.2 m -119.0 -7.88 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' THR . 40.5 t 61.96 137.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.04 32.08 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -118.45 166.49 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.641 HG21 ' HG2' ' A' ' 27' ' ' LYS . 47.5 mm -37.72 -58.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.676 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -45.04 -64.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.4 t-80 -39.32 -46.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -61.25 -46.25 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.22 -17.16 51.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.53 6.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD21 HG11 ' A' ' 23' ' ' VAL . 81.0 mt -100.64 144.15 29.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.31 171.34 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 12.6 t80 -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.506 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.79 -31.81 4.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.34 101.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 8.4 tt0 -72.72 117.98 15.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.8 mt -72.69 106.63 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.686 HD11 ' OE1' ' A' ' 98' ' ' GLN . 59.3 mt -80.99 -50.92 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 28.5 mt-10 -149.43 137.69 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CD1' HG22 ' A' ' 85' ' ' ILE . 42.4 t80 -108.64 104.81 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.35 17.55 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 -45.15 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.685 HG21 HD13 ' A' ' 85' ' ' ILE . 2.2 mt -41.64 152.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -101.53 113.27 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.461 HD12 HG13 ' A' ' 44' ' ' ILE . 3.9 mm? -80.44 -40.44 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.73 -36.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -112.69 48.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -130.09 -177.31 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.468 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 51.2 p -135.36 178.42 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.4 pt-20 -68.16 -36.7 80.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 17.7 pt20 -68.69 -41.06 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.2 OUTLIER -71.26 -53.87 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -45.93 -55.67 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -53.02 -26.26 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' GLN . 16.7 mt -86.6 -38.86 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.685 HD13 HG21 ' A' ' 72' ' ' ILE . 67.5 mt -65.57 -64.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -54.44 -22.07 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 12.69 69.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.6 mm-40 -61.77 -174.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.4 ' O ' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.52 117.2 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.2 m -175.4 118.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -45.93 -52.59 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 4.0 m -125.66 112.92 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -122.48 147.61 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.76 HG23 ' HG2' ' A' ' 24' ' ' LYS . 3.1 m -102.27 162.9 12.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.446 HD12 HG21 ' A' ' 25' ' ' VAL . 4.5 mt -141.01 142.83 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 20' ' ' PRO . 47.4 tp -112.07 88.29 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.02 174.58 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.686 ' OE1' HD11 ' A' ' 67' ' ' LEU . 64.6 tt0 -168.07 83.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -38.15 143.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -134.35 109.93 11.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLU . 4.6 mt-10 -43.52 107.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.2 mp0 -38.39 156.8 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.721 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.03 136.66 20.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.663 ' O ' HD12 ' A' ' 96' ' ' LEU . 5.0 ptm180 -118.8 169.56 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.561 ' CE1' HD13 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -116.94 116.46 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.65 118.73 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.01 157.1 28.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.1 t -134.33 134.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 mt-30 -108.76 68.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.47 7.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 50.08 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.777 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 6.6 mm-40 -147.19 162.32 33.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.79 12.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.8 tp -102.09 -45.95 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 67.65 65.02 2.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.615 HG22 HG23 ' A' ' 49' ' ' VAL . 1.2 pt -143.74 155.22 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.39 146.04 41.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -138.49 153.67 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.3 m -140.98 149.08 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -99.84 146.62 26.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 78' ' ' THR . 18.6 mm -129.14 135.82 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 24.4 m-85 -127.36 133.09 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.84 129.11 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -102.47 -11.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.003 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 174.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 34' ' ' ILE . 2.8 p -155.95 100.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' GLY . 26.4 m -42.09 150.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.692 HG23 ' NE2' ' A' ' 56' ' ' HIS . 3.2 p -98.5 138.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.79 -20.34 28.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -76.68 163.63 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.506 HG22 ' CG1' ' A' ' 25' ' ' VAL . 32.0 mm -40.11 -57.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.49 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.692 ' NE2' HG23 ' A' ' 51' ' ' VAL . 8.4 t-80 -38.94 -51.41 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.96 -45.5 78.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.12 -34.41 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.9 43.26 2.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.2 mt -86.33 150.54 24.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.9 166.56 25.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 11.0 t80 -77.73 154.47 32.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.533 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.38 -21.4 25.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 98.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.4 tt0 -65.8 121.5 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.41 128.26 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -101.12 -60.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -132.43 144.73 50.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CD1' HG22 ' A' ' 85' ' ' ILE . 18.2 t80 -118.95 110.39 17.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 49.13 23.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.38 -33.78 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.837 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -58.74 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -73.2 93.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 12.9 mt -57.96 -40.31 80.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -40.83 128.25 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 1.3 t 88.63 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -48.85 175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.672 ' O ' HD11 ' A' ' 44' ' ' ILE . 43.1 p -115.03 -161.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -87.93 -38.8 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.9 -40.09 94.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.05 -41.06 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -66.49 -39.08 88.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HA ' HD11 ' A' ' 86' ' ' ILE . 13.4 mtt180 -65.92 -9.87 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.8 -55.1 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.837 HG23 HD13 ' A' ' 72' ' ' ILE . 18.8 mt -49.27 -47.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 83' ' ' ARG . 1.9 pt -68.89 -33.39 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.23 40.87 2.92 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -105.91 -173.38 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -107.77 146.61 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.287 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.83 107.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.338 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -40.85 -48.15 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.3 m -133.03 123.78 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.545 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -129.19 146.48 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.421 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.7 m -103.05 158.98 15.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.3 mt -139.01 139.74 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 20' ' ' PRO . 28.9 tp -114.6 88.78 2.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.45 167.42 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' TYR . 39.0 tt0 -151.61 87.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLN . 27.7 t80 -37.07 111.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.68 111.7 35.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 4.0 mm-40 -51.24 108.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.4 pm0 -38.27 151.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -74.91 137.56 22.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.831 ' O ' HD12 ' A' ' 96' ' ' LEU . 13.1 ptm180 -118.2 172.55 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -119.02 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' ALA . 24.2 t -75.61 117.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.38 145.85 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.578 HG21 HD12 ' A' ' 95' ' ' ILE . 3.9 t -127.0 130.58 71.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.506 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 mt-30 -109.86 68.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.757 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.48 -85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.98 -62.74 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -167.76 34.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -138.08 159.14 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.83 30.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 86' ' ' ILE . 14.2 tp -71.7 -57.28 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 84.71 63.51 1.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 33' ' ' GLY . 1.0 OUTLIER -156.17 151.65 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 7.0 t -101.07 143.34 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.638 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -136.37 144.21 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -130.89 148.63 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -101.59 146.08 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.449 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.2 mm -118.42 137.59 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -130.92 135.06 47.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 28.9 t -62.95 128.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.95 -22.15 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 161.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 34' ' ' ILE . 1.4 t -123.99 157.28 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 97.1 m -99.22 165.57 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 t -102.07 146.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.35 34.16 17.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ILE . 84.6 p -114.62 157.04 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.757 HG21 ' CD ' ' A' ' 27' ' ' LYS . 31.2 mm -39.17 -54.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -51.25 -59.85 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -42.58 -34.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.13 -39.77 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -61.55 -17.05 53.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.32 38.24 18.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.9 162.17 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.89 169.22 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -75.46 152.9 37.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.582 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.42 -15.41 50.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.99 99.89 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.99 112.05 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HB3' HD12 ' A' ' 74' ' ' LEU . 29.2 mt -71.15 117.06 12.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.37 -62.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.9 mt-10 -139.74 138.42 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' CD1' ' A' ' 93' ' ' ILE . 11.6 t80 -107.98 111.2 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 93' ' ' ILE . 5.5 t-20 47.35 25.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.71 -35.36 4.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.746 HG21 HD13 ' A' ' 85' ' ' ILE . 2.8 mt -54.96 130.92 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.16 90.15 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 66' ' ' LEU . 10.9 mt -66.81 -33.89 76.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.69 -29.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 49.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.2 158.24 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -100.02 157.3 16.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -52.56 -38.65 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.2 -34.75 78.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.11 -38.98 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.638 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -64.82 -42.05 95.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -70.54 -6.87 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.39 -55.22 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.746 HD13 HG21 ' A' ' 72' ' ' ILE . 22.9 mt -47.5 -43.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.629 ' HB ' HD22 ' A' ' 32' ' ' LEU . 5.6 pt -70.55 -30.98 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -91.69 29.11 7.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HG3' HD12 ' A' ' 84' ' ' LEU . 14.4 mt-30 -99.65 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.365 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -82.96 -162.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 5.1 t 100.35 87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.46 -35.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m -140.55 102.51 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.568 ' CD1' ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -116.02 145.36 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.422 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.7 m -103.09 157.64 16.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.578 HD12 HG21 ' A' ' 25' ' ' VAL . 45.4 mt -132.27 146.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 21' ' ' ARG . 64.8 tp -112.42 99.4 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.17 160.83 15.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 31.9 tt0 -152.61 92.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -43.54 119.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.62 111.02 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -72.51 105.76 4.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -32.49 152.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.715 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.95 122.51 7.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.912 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.91 178.71 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CE1' HD23 ' A' ' 96' ' ' LEU . 9.4 m80 -129.93 81.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.98 119.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 152.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.552 ' CG1' HG22 ' A' ' 54' ' ' ILE . 9.6 t -132.74 132.88 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.25 74.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.843 ' HD3' HG21 ' A' ' 54' ' ' ILE . 3.0 mmtt -59.63 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.15 -52.06 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -177.98 36.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.36 155.72 60.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 12.5 tp -79.45 -54.89 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.72 64.39 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.787 HG22 HG22 ' A' ' 49' ' ' VAL . 1.1 pt -151.34 143.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 5.8 t -91.16 142.73 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.569 HD13 HD12 ' A' ' 44' ' ' ILE . 2.6 pp -139.0 150.54 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 47' ' ' SER . 3.5 m -134.52 149.54 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -97.78 148.36 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.569 HD12 HD13 ' A' ' 36' ' ' ILE . 12.0 mm -124.15 135.87 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 0.723 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 31.2 m-85 -127.47 138.48 52.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 91.0 t -63.29 131.39 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.523 ' HB2' HG13 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -109.84 -16.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.026 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -178.91 164.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.787 HG22 HG22 ' A' ' 34' ' ' ILE . 1.3 t -135.43 155.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.415 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 93.7 m -104.0 121.12 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.91 130.93 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -22.32 19.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 50' ' ' THR . 1.3 p -68.25 160.08 29.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.747 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.843 HG21 ' HD3' ' A' ' 27' ' ' LYS . 37.8 mm -40.54 -56.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -40.6 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ALA . 32.9 t-80 -38.51 -49.14 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.564 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -53.49 -48.24 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -62.24 -36.38 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 51.55 1.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.0 158.65 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -143.63 158.79 43.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.4 t80 -79.25 156.7 28.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.604 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 89.21 -33.11 4.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -58.91 145.53 41.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.0 tt0 -105.8 133.25 50.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.492 HD22 ' CG2' ' A' ' 95' ' ' ILE . 16.5 mt -99.3 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.822 HD12 HD11 ' A' ' 96' ' ' LEU . 11.0 mt -88.18 -44.2 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -139.62 168.21 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CD1' HG22 ' A' ' 85' ' ' ILE . 39.4 t80 -143.08 101.68 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.6 t-20 59.45 16.71 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.01 -26.16 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.933 HD13 HG23 ' A' ' 85' ' ' ILE . 2.0 mt -58.07 157.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.75 97.52 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.1 mt -77.33 -41.6 39.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -124.68 52.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -131.97 163.42 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p -108.51 155.47 20.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -47.16 -37.3 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.5 -56.42 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -45.35 84.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.55 87.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -63.9 -11.96 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.44 -54.53 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.933 HG23 HD13 ' A' ' 72' ' ' ILE . 15.7 mt -47.23 -48.34 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.545 HG22 ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -70.28 -30.88 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 36.84 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 3.3 mt-30 -105.83 -174.36 2.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.515 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 1.9 pm0 -102.22 148.24 25.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.79 106.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.39 -46.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.4 m -134.99 122.01 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -131.03 144.89 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -105.26 170.48 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.492 ' CG2' HD22 ' A' ' 66' ' ' LEU . 79.3 mt -145.54 140.31 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 21' ' ' ARG . 1.2 tm? -105.31 116.41 31.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.599 ' N ' HD13 ' A' ' 96' ' ' LEU . . . -127.77 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 99' ' ' TYR . 33.1 tt0 -140.88 48.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 2.7 t80 35.05 -156.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 5.1 p-10 159.68 79.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG23 ' CD ' ' A' ' 101' ' ' PRO . 9.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.88 107.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.14 151.27 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.754 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.0 128.73 11.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.713 ' O ' HD22 ' A' ' 96' ' ' LEU . 4.5 ptp85 -105.57 168.31 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -117.44 106.39 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' A' ' 21' ' ' ARG . 49.7 t -100.55 116.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.72 158.79 31.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 33.0 t -133.93 136.47 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.58 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.3 mt-30 -111.44 71.65 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.791 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -62.79 -84.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 54.65 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.69 43.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.0 mp0 -144.31 157.38 56.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 13.7 tp -86.74 -55.91 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 83.03 62.94 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.825 HG22 HG22 ' A' ' 49' ' ' VAL . 1.1 pt -153.67 148.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 3.7 t -98.54 141.96 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -132.41 155.49 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 5.3 m -142.24 153.6 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -112.27 147.34 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.702 HG22 HD12 ' A' ' 66' ' ' LEU . 19.2 mm -123.16 137.73 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 37' ' ' VAL . 70.5 m-85 -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 50.3 t -59.53 130.98 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.485 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -103.26 -20.64 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -178.22 166.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 34' ' ' ILE . 1.4 t -134.37 153.97 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.6 m -99.5 150.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.438 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 4.3 p -94.01 144.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.04 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 159.25 15.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.791 HG21 ' CD ' ' A' ' 27' ' ' LYS . 39.1 mm -40.76 -64.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.648 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -37.28 -63.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 3.1 t-80 -39.44 -51.36 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -61.32 -42.19 98.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.07 -29.55 67.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.1 46.02 3.7 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.44 168.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.36 165.04 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.9 t80 -83.16 156.85 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.63 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.29 -6.2 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.96 102.16 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -53.75 130.01 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.702 HD12 HG22 ' A' ' 44' ' ' ILE . 49.3 mt -89.1 107.04 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.874 HD12 ' CD1' ' A' ' 96' ' ' LEU . 17.6 mt -77.09 -74.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -132.31 155.72 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 74' ' ' LEU . 43.3 t80 -124.87 104.54 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.53 13.58 7.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.14 19.29 63.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.607 HG21 HG21 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -80.97 6.99 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 53.68 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 69' ' ' PHE . 3.4 mt -93.02 -21.9 19.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -45.46 -25.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' LEU . 29.1 t -126.74 60.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.755 ' HB3' HD23 ' A' ' 74' ' ' LEU . . . -139.79 161.35 37.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.487 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 41.1 p -102.42 179.28 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.0 pt-20 -70.0 -37.33 75.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.08 -39.97 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.487 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -71.61 -52.05 20.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -46.35 -57.3 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.425 ' HA ' HD11 ' A' ' 86' ' ' ILE . 11.9 mtp180 -48.08 -31.92 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' GLY . 21.6 mt -82.61 -57.72 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.656 HG22 ' CD1' ' A' ' 69' ' ' PHE . 58.4 mt -43.21 -57.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 83' ' ' ARG . 1.6 pt -62.31 -30.17 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -87.94 36.67 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.82 -174.12 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -115.85 118.11 32.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.3 m -168.9 116.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -46.27 -52.52 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 79.3 m -130.28 127.2 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.86 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.9 m -98.18 155.33 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 25' ' ' VAL . 55.8 mt -136.99 148.13 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.874 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 tm? -116.94 114.72 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -112.45 177.53 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 45.9 tt0 -173.68 79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 24.0 t80 -37.17 130.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -115.09 109.14 47.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.554 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.97 101.96 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.71 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.99 143.64 29.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD22 ' A' ' 96' ' ' LEU . 3.0 ptm180 -122.86 166.58 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.82 105.28 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 58' ' ' ALA . 16.2 t -97.59 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 160.09 15.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.655 HG13 HG22 ' A' ' 54' ' ' ILE . 13.5 t -136.35 148.74 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -127.49 53.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -37.46 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.59 55.94 3.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.07 42.08 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.9 mt-10 -142.63 156.66 63.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.88 30.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD23 HG12 ' A' ' 34' ' ' ILE . 21.9 tp -85.62 -34.89 21.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.25 68.26 1.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 86' ' ' ILE . 1.1 pt -151.16 152.66 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -109.25 141.39 41.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -133.83 151.15 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -138.97 148.71 23.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -100.64 146.23 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 mm -101.77 139.69 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 70.4 m-85 -132.41 141.1 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.07 127.9 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -98.62 -22.28 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tttt 179.74 172.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 34' ' ' ILE . 1.5 p -152.75 140.52 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 m -102.58 157.68 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -90.26 158.18 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 55.53 17.48 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.573 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 1.1 m -104.95 12.23 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.655 HG22 HG13 ' A' ' 25' ' ' VAL . 5.8 mm 85.96 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -51.14 -66.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -45.87 -49.79 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.55 -39.46 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.674 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -68.21 -29.49 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 55.22 1.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.47 143.72 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.91 172.77 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 8.4 t80 -84.48 155.75 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.972 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.572 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.95 -13.18 57.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.16 115.04 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 tt0 -69.15 125.54 26.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.78 91.23 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.888 HD12 ' CD1' ' A' ' 96' ' ' LEU . 30.1 mt -57.86 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 5.1 mt-10 -126.26 169.06 13.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 53.8 t80 -131.74 99.68 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.8 t-20 63.92 14.32 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 68' ' ' GLU . . . 118.71 -16.67 11.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.879 HG21 HG21 ' A' ' 85' ' ' ILE . 3.9 mt -69.61 134.54 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -83.21 106.62 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.13 -21.8 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -52.82 -24.89 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.2 m -122.02 44.76 2.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.2 -170.94 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.471 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 35.5 p -127.41 -171.43 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.5 pt-20 -80.53 -37.25 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.411 ' NE2' ' OE1' ' A' ' 81' ' ' GLN . 9.0 pt20 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.471 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -75.97 -46.32 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.613 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -48.39 -55.4 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD11 ' A' ' 86' ' ' ILE . 9.9 mtp-105 -55.94 -23.87 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.18 -40.51 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.879 HG21 HG21 ' A' ' 72' ' ' ILE . 80.1 mt -67.65 -47.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 34' ' ' ILE . 4.9 pt -67.58 -21.57 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.92 12.15 70.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 24.9 mm-40 -56.77 178.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -112.63 133.05 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 165.89 112.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.299 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -43.22 -49.43 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.4 m -127.04 121.8 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.737 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.43 153.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.9 m -109.52 159.28 17.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.609 HG13 HD11 ' A' ' 93' ' ' ILE . 8.4 mt -137.16 153.9 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.888 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 tm? -118.13 116.39 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -116.39 177.76 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -174.27 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -39.9 125.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -123.85 106.82 31.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.3 mt-10 -79.54 101.42 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -36.98 154.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 129.31 12.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 96' ' ' LEU . 1.9 ptm85 -106.69 174.99 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.868 ' CE1' HD13 ' A' ' 96' ' ' LEU . 9.5 m80 -123.42 91.82 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 39.0 t -77.68 114.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.665 ' HA ' HG23 ' A' ' 94' ' ' THR . 12.5 tttt -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.61 ' CG1' HG22 ' A' ' 54' ' ' ILE . 5.0 t -134.0 152.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -131.01 51.51 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.869 ' HG3' HG21 ' A' ' 54' ' ' ILE . 1.2 mtpt -40.1 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.76 -99.37 2.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.98 28.65 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -147.03 154.84 47.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.53 9.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.558 HD23 HG12 ' A' ' 34' ' ' ILE . 33.8 tp -79.0 -50.03 11.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.59 68.25 1.54 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.565 HG22 HG23 ' A' ' 49' ' ' VAL . 1.2 pt -149.33 159.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -115.86 142.74 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -134.83 151.1 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -137.93 149.42 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -98.98 146.13 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.7 mm -113.87 139.1 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 75.2 m-85 -131.02 143.57 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.3 t -68.0 127.26 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.497 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.89 -26.34 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.58 168.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 34' ' ' ILE . 2.1 p -149.26 125.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.7 m -57.12 157.26 6.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.513 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.8 t -99.52 127.58 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 87.53 -12.19 63.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ILE . 94.8 p -72.39 160.31 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.869 HG21 ' HG3' ' A' ' 27' ' ' LYS . 33.8 mm -37.66 -54.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -47.72 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 1.8 t-80 -39.15 -45.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.54 -46.52 87.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.7 -40.59 92.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 49.56 0.86 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.28 136.19 34.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.57 169.86 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.8 t80 -81.48 151.07 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.547 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.87 -16.85 49.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 91.11 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -58.31 126.61 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' HD13 ' A' ' 74' ' ' LEU . 6.9 mt -88.18 105.82 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' OE1' ' A' ' 98' ' ' GLN . 94.1 mt -74.21 -54.49 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 142.11 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.736 ' HB2' HD11 ' A' ' 74' ' ' LEU . 50.7 t80 -108.66 104.54 13.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 69' ' ' PHE . 17.8 p30 40.49 29.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PHE . . . 97.1 62.61 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.008 HG21 HD13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -147.54 148.56 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -82.79 118.36 23.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' A' ' 69' ' ' PHE . 66.5 mt -117.22 -39.11 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -43.0 -27.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -137.53 56.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.04 171.98 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.2 p -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -41.49 -36.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.4 -45.53 83.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -59.66 -54.1 50.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 86' ' ' ILE . . . -51.18 -58.7 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.488 ' HA ' HD11 ' A' ' 86' ' ' ILE . 30.4 mtp180 -48.26 -23.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -91.23 -54.22 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.008 HD13 HG21 ' A' ' 72' ' ' ILE . 71.5 mt -56.23 -29.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -89.77 -34.39 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.29 2.92 80.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.07 -173.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -92.0 -106.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' GLN . 6.6 m 52.56 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -46.78 -44.45 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.499 HG22 ' HE2' ' A' ' 24' ' ' LYS . 5.3 m -123.23 109.57 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.653 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.26 146.04 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.665 HG23 ' HA ' ' A' ' 24' ' ' LYS . 1.4 m -111.63 158.62 19.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' VAL . 16.0 mt -134.14 141.54 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.868 HD13 ' CE1' ' A' ' 22' ' ' HIS . 26.6 tp -113.41 83.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 174.65 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 67' ' ' LEU . 42.4 tt0 -165.28 83.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLN . 10.9 t80 -36.34 131.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -125.34 112.85 25.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -168.05 154.71 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -140.64 -59.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.09 148.04 6.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -171.31 160.31 6.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.773 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 p -135.43 165.66 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 159.7 27.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.56 -162.07 9.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -161.71 109.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.77 120.18 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.03 170.23 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -82.12 72.17 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.3 145.84 49.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -50.1 148.73 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 -19.32 18.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER 68.17 -63.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.461 HG21 ' OD1' ' A' ' 100' ' ' ASN . 7.4 p -146.07 146.6 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.83 107.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 2.4 mt-10 -40.8 159.13 0.16 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.08 150.18 37.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 19' ' ' GLU . 2.4 ptp180 -126.58 163.35 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.602 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.0 m80 -118.52 101.56 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.2 t -92.71 121.87 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -82.25 148.93 28.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.548 ' CG1' HG22 ' A' ' 54' ' ' ILE . 7.8 t -131.0 130.82 64.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.59 71.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.866 ' HD3' HG21 ' A' ' 54' ' ' ILE . 1.4 mmtt -54.45 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . 77.98 42.9 15.13 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 79.12 41.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.733 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -144.7 158.07 54.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.77 15.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 HD23 HG12 ' A' ' 34' ' ' ILE . 22.1 tp -87.36 -50.2 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 76.7 69.47 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.842 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -152.35 148.73 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -101.3 142.78 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.678 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -134.97 150.2 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -136.15 149.19 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -100.25 147.0 26.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.83 149.37 16.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.38 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.36 -136.08 3.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.19 -148.23 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.2 mm -100.88 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -132.59 140.28 48.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 62' ' ' TYR . 50.7 t -68.22 126.08 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.568 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -100.24 -20.02 16.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -175.22 165.72 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.842 HG23 HG22 ' A' ' 34' ' ' ILE . 3.2 p -150.3 100.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -44.83 131.05 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.725 HG13 ' CE1' ' A' ' 56' ' ' HIS . 49.3 t -84.6 129.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 98.93 -8.85 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' ILE . 3.9 m -89.55 166.86 13.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.866 HG21 ' HD3' ' A' ' 27' ' ' LYS . 46.3 mm -38.5 -62.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.562 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.84 -67.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.725 ' CE1' HG13 ' A' ' 51' ' ' VAL . 6.1 t-80 -37.51 -57.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.47 -47.13 38.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -39.06 82.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.77 48.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.3 mt -96.21 146.95 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -135.7 169.86 16.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 6.3 t80 -74.13 151.47 40.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.517 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 92.05 -30.14 6.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.69 104.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.37 121.46 18.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.15 111.38 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.565 HD11 ' OE1' ' A' ' 98' ' ' GLN . 64.2 mt -81.79 -56.28 4.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.67 142.74 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.827 ' CD2' HG22 ' A' ' 85' ' ' ILE . 44.6 t80 -112.23 100.55 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 62.9 13.62 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.23 -45.1 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 85' ' ' ILE . 1.6 mt -44.84 158.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 7.7 t-20 -106.05 106.81 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.747 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.3 mm? -74.55 -27.36 60.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.36 -26.68 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.38 -27.8 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.06 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -56.71 135.23 55.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -87.42 170.85 11.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -58.92 -38.41 78.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 19.5 pt20 -69.7 -36.24 75.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 80' ' ' GLN . 37.3 mt-30 -77.24 -47.57 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -56.4 -41.77 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.97 -17.27 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -99.43 -54.92 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.827 HG22 ' CD2' ' A' ' 69' ' ' PHE . 14.5 mt -44.09 -47.94 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.545 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.1 pt -70.93 -32.7 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -90.48 41.7 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.89 -174.36 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.441 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -117.44 95.55 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.02 113.19 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -41.45 -52.73 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.8 m -127.68 123.79 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.28 147.34 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.3 m -108.51 165.18 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.7 143.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 20' ' ' PRO . 31.1 tp -112.22 90.19 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.62 175.4 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.565 ' OE1' HD11 ' A' ' 67' ' ' LEU . 47.4 tt0 -171.37 80.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 60.1 t80 -36.92 131.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.461 ' OD1' HG21 ' A' ' 17' ' ' VAL . 2.0 m-20 -127.6 115.94 21.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.6 3.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -159.46 55.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.639 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' ' 103' ' ' VAL . 9.0 p -164.61 63.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -111.42 82.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -129.92 171.36 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.4 149.85 13.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -157.33 158.85 36.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.75 151.51 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 171.18 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.614 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -80.87 153.53 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -77.79 111.73 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.85 163.59 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.86 -145.68 7.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.64 5.91 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -110.44 172.59 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m 48.2 81.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.043 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.09 93.89 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.61 169.94 17.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.68 -112.17 3.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.56 132.38 17.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -115.62 165.32 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.03 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.5 101.91 2.43 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.16 122.2 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -157.13 172.02 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.59 129.76 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.61 -61.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -175.48 166.44 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.67 119.95 57.17 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.05 -16.69 19.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.599 ' CD2' HG12 ' A' ' 17' ' ' VAL . 33.1 p90 -160.64 -42.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -173.05 155.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 2.0 mt-10 -49.87 107.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -39.21 153.27 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -74.93 145.63 31.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.606 ' O ' HD12 ' A' ' 96' ' ' LEU . 6.8 ptm180 -125.4 171.69 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.6 m80 -120.74 102.17 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -89.73 120.84 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -82.88 150.97 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.572 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.7 t -131.38 134.13 61.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 67.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.69 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 -65.45 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -168.31 35.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.48 158.82 74.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.62 36.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.707 HD23 ' CG1' ' A' ' 34' ' ' ILE . 11.2 tp -71.94 -60.38 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.51 59.41 2.53 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.098 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG1' HD23 ' A' ' 32' ' ' LEU . 1.1 pp -145.41 142.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -99.67 144.26 28.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.6 pp -134.47 154.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.54 148.44 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -102.32 147.02 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.39 15.97 60.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 73.55 -66.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.774 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.68 79.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.08 153.48 6.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.75 150.83 17.83 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 mm -123.54 136.0 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' CD2' HG21 ' A' ' 103' ' ' VAL . 85.1 m-85 -130.87 135.67 47.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.95 124.99 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -94.2 -22.73 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.19 169.58 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.676 HG23 HG22 ' A' ' 34' ' ' ILE . 2.4 p -150.58 118.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 51' ' ' VAL . 86.6 m -53.39 169.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.6 p -110.29 144.72 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.53 14.44 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ILE . 1.1 m -102.9 161.96 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.779 HG21 ' HD2' ' A' ' 27' ' ' LYS . 47.6 mm -38.55 -65.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.616 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -39.7 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 32.7 t-80 -41.28 -46.73 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.61 -42.64 97.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.549 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -59.86 -35.22 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 45.8 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.0 173.86 7.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -162.46 174.81 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 5.1 t80 -85.13 148.28 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 91.02 -18.39 51.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.84 105.63 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -72.62 125.95 28.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.59 107.41 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD11 ' OE1' ' A' ' 98' ' ' GLN . 60.0 mt -80.56 -48.03 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 16.7 mt-10 -151.91 133.24 14.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.632 ' CD1' HG22 ' A' ' 85' ' ' ILE . 41.0 t80 -104.28 105.06 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 58.67 17.03 4.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.4 -44.39 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.01 HG21 HD13 ' A' ' 85' ' ' ILE . 1.9 mt -40.41 145.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.41 100.66 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 2.9 mm? -69.36 -46.85 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 22.5 mtt180 -39.65 111.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 85.29 33.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -105.35 154.34 20.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 p -98.65 147.92 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.45 -40.98 13.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.475 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.3 pp0? -64.92 -32.84 74.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' THR . 11.8 mt-30 -72.19 -50.26 29.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -53.74 -56.59 16.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -49.8 -22.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 80' ' ' GLN . 15.5 mt -90.43 -52.43 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.01 HD13 HG21 ' A' ' 72' ' ' ILE . 77.5 mt -55.1 -51.41 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.571 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.5 pt -68.72 -39.52 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.2 42.83 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.443 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 2.8 mt-30 -102.99 -173.06 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -106.49 144.19 33.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.06 112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.332 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -46.53 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -130.79 124.29 31.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.505 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -135.06 148.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.0 m -107.12 168.37 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.44 138.14 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 21' ' ' ARG . 57.9 tp -108.4 88.62 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.84 176.53 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.543 ' OE1' HD11 ' A' ' 67' ' ' LEU . 41.0 tt0 -175.35 82.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -37.54 142.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.488 ' O ' HG12 ' A' ' 103' ' ' VAL . 35.8 t-20 -140.03 115.24 7.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 54.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.53 51.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 103' ' ' VAL . 1.4 p -158.52 71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.99 -72.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.534 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.02 91.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.04 -67.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.35 165.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.56 88.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.7 66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.4 m -118.21 -59.56 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.35 168.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.7 p -102.72 111.61 24.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.8 113.98 3.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 144.59 30.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.49 -57.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.6 p -55.7 -58.43 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -92.02 109.5 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -152.26 160.05 43.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.02 88.14 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -178.15 115.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.47 166.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.053 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.19 128.91 2.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.27 158.11 18.32 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -157.4 103.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -141.75 131.09 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -131.8 112.45 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 156.16 16.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.47 116.34 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -147.89 148.48 30.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.04 -20.47 16.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' PRO . 33.5 m-85 56.84 150.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG23 ' CD ' ' A' ' 101' ' ' PRO . 8.3 p -151.8 159.82 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -47.58 109.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 156.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.72 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -74.99 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.572 1.828 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -103.4 160.03 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.8 m80 -116.31 110.01 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.84 126.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -85.96 150.75 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 32' ' ' LEU . 12.8 t -133.07 132.41 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.83 73.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HG2' HG21 ' A' ' 54' ' ' ILE . 12.6 mmtt -55.83 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 -61.8 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 p -163.74 32.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 1.6 mm-40 -146.27 158.04 48.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 12.8 tp -74.1 -54.35 8.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.44 62.96 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.76 143.34 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -93.06 146.49 23.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.806 HD11 ' HG3' ' A' ' 83' ' ' ARG . 2.8 pp -135.63 159.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -145.35 149.18 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -100.83 149.31 23.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.07 -174.21 14.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 70.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttt 62.75 44.79 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.35 -0.15 16.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.58 -169.12 25.68 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.615 HD11 ' C ' ' A' ' 78' ' ' THR . 14.3 mm -98.1 138.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 89.8 m-85 -127.34 138.45 53.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 44.3 t -65.38 127.92 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -99.67 -24.08 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.71 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.511 HG23 HG22 ' A' ' 34' ' ' ILE . 1.4 p -143.79 125.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -63.5 125.24 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 56' ' ' HIS . 53.4 t -75.39 125.21 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.87 -5.02 68.9 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -86.81 164.04 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.576 HG22 ' CG1' ' A' ' 25' ' ' VAL . 42.0 mm -38.14 -63.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.646 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -39.38 -65.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 t-80 -37.69 -52.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -55.09 -47.1 75.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.46 -43.37 93.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.06 49.47 0.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.73 152.58 20.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.57 172.0 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -83.59 153.54 24.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.576 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.85 -12.66 56.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.31 87.66 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.2 tt0 -54.53 119.01 4.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.03 113.45 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD11 ' OE1' ' A' ' 98' ' ' GLN . 66.8 mt -83.73 -53.48 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 14.1 mt-10 -143.53 144.17 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.915 ' CD2' HG22 ' A' ' 85' ' ' ILE . 49.7 t80 -116.89 91.35 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.3 t-20 69.48 8.86 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.96 -43.99 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.85 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -52.27 123.95 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -73.93 114.89 12.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.0 mm? -77.75 -28.46 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -55.17 -33.82 63.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -12.49 19.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.985 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -74.43 158.82 33.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.615 ' C ' HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -107.78 -171.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.406 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.626 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.3 pt-20 -75.76 -35.97 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -75.84 -44.19 42.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.456 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.1 OUTLIER -66.57 -44.11 83.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.07 79.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.806 ' HG3' HD11 ' A' ' 36' ' ' ILE . 31.4 mtp85 -69.31 -13.87 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.1 -54.7 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.915 HG22 ' CD2' ' A' ' 69' ' ' PHE . 15.0 mt -45.04 -48.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 1.9 pt -70.73 -29.65 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -89.47 32.42 4.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -93.08 -174.11 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -111.71 130.34 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.03 109.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -49.22 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 m -130.38 125.09 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.695 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.31 151.0 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -108.45 165.37 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.481 HG13 HD11 ' A' ' 93' ' ' ILE . 26.5 mt -139.45 140.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.794 HD13 ' CE1' ' A' ' 22' ' ' HIS . 51.6 tp -112.03 99.77 8.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.42 170.41 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.478 ' OE1' HD11 ' A' ' 67' ' ' LEU . 54.5 tt0 -164.07 77.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -40.42 134.67 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -126.88 114.13 22.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.543 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.06 54.56 3.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.39 60.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.7 t -150.56 129.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -175.41 81.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.89 174.84 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mt 58.46 168.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.36 -61.81 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.7 t -174.11 161.24 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -179.85 90.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.635 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -149.56 161.05 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.99 104.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.6 m -82.12 163.97 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.33 88.98 0.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.71 2.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 155.08 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.77 159.49 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -165.34 156.55 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.12 166.76 28.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.25 177.52 19.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -160.58 155.04 23.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -174.09 169.25 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.15 -159.46 8.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.01 106.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.16 138.41 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 109.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -62.48 164.87 6.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 154.02 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.36 163.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.51 143.55 51.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.37 2.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.568 ' HD1' HG13 ' A' ' 17' ' ' VAL . 4.6 t80 -164.46 -49.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG13 ' HD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -111.94 179.73 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.8 mm-40 -78.37 101.33 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.9 mt-10 -38.58 157.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.0 138.23 22.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -112.91 169.84 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.551 ' CE1' HD13 ' A' ' 96' ' ' LEU . 6.5 m80 -124.67 82.14 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.637 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 21' ' ' ARG . 93.9 t -78.02 130.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -93.19 159.18 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.522 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 25.4 t -133.8 133.85 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.63 68.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.674 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -54.42 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.96 -68.84 2.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -164.42 39.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.85 162.12 56.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.678 HD23 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -89.11 -54.02 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.49 62.43 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.678 ' CG1' HD23 ' A' ' 32' ' ' LEU . 1.3 pt -142.13 145.29 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -107.97 142.1 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.579 HD13 HD12 ' A' ' 44' ' ' ILE . 2.5 pp -134.28 156.23 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 9.6 m -140.39 156.38 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -109.08 146.4 34.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 157.59 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.77 -58.98 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -46.21 84.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.15 -134.42 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.574 1.171 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.51 158.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.579 HD12 HD13 ' A' ' 36' ' ' ILE . 17.1 mm -121.02 132.5 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -124.72 138.57 54.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 41.4 t -67.05 124.67 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.51 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 1.4 t -95.12 -24.47 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.86 172.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 34' ' ' ILE . 2.3 p -154.26 120.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 m -57.7 149.71 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.683 HG23 ' NE2' ' A' ' 56' ' ' HIS . 4.3 p -93.63 134.81 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.21 -31.67 5.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -60.54 163.31 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.674 HG21 ' CD ' ' A' ' 27' ' ' LYS . 42.9 mm -39.52 -58.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.633 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -38.65 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.683 ' NE2' HG23 ' A' ' 51' ' ' VAL . 2.9 t-80 -38.82 -58.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -47.41 -44.82 24.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.54 -41.84 97.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.74 44.5 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 60' ' ' LEU . 18.7 mt -84.08 157.99 21.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -146.03 167.21 23.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.9 t80 -81.11 154.35 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.18 -5.35 63.36 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 94.11 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -59.84 120.82 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.31 102.25 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD11 ' OE1' ' A' ' 98' ' ' GLN . 34.1 mt -75.15 -47.43 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HB2' HD23 ' A' ' 96' ' ' LEU . 23.5 mt-10 -148.89 146.09 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.598 ' CD1' HG22 ' A' ' 85' ' ' ILE . 27.7 t80 -127.27 107.89 10.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.29 12.83 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.93 4.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.906 HG21 HD13 ' A' ' 85' ' ' ILE . 1.8 mt -115.38 119.46 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.232 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.588 HD22 HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -60.65 -47.26 87.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' SER . 6.3 mtp180 -38.1 116.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 86.04 26.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -100.85 137.58 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.4 p -83.06 141.85 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -40.76 -35.93 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.554 ' O ' HD12 ' A' ' 84' ' ' LEU . 4.8 mt-30 -67.0 -46.9 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -58.99 -54.96 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -49.32 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' ALA . 43.3 mtm180 -38.64 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 80' ' ' GLN . 5.3 mt -86.5 -55.97 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.906 HD13 HG21 ' A' ' 72' ' ' ILE . 64.0 mt -52.34 -50.37 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.517 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.2 pt -71.27 -40.99 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.05 44.64 3.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -103.16 -173.4 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.4 OUTLIER -106.37 147.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.89 112.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -44.38 -48.79 9.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.0 m -131.44 126.11 34.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -136.35 149.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.4 m -107.83 165.47 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.57 148.16 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 22' ' ' HIS . 10.3 tp -120.78 91.5 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.3 177.6 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.578 ' OE1' HD11 ' A' ' 67' ' ' LEU . 50.6 tt0 -172.23 77.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -37.27 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -136.24 119.84 12.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.38 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.13 52.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -167.76 114.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -166.86 -61.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.649 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.75 177.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.5 OUTLIER 66.73 165.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 108' ' ' SER . 3.6 t 61.85 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.5 OUTLIER 84.55 156.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.34 122.09 44.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 98.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.38 123.65 44.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.2 p -77.44 154.67 32.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.58 -78.89 1.12 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 84.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.25 2.63 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.7 m -147.18 149.26 32.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -70.98 164.91 24.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -58.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 128.93 1.73 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.1 -58.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.11 97.0 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.31 -73.61 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.95 -89.97 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.87 148.19 25.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -138.72 147.05 42.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -109.68 86.34 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.31 136.3 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.95 125.46 8.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 62.77 136.26 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -74.98 -20.33 17.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 2.9 t80 68.65 -61.42 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.52 152.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -47.99 108.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.31 159.32 0.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.694 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -75.01 148.5 35.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.464 ' HG3' HG23 ' A' ' 23' ' ' VAL . 1.4 ptp180 -126.67 163.79 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.4 m80 -117.45 103.43 10.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' A' ' 21' ' ' ARG . 42.1 t -100.03 120.21 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -81.37 156.61 25.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.579 ' CG1' HG22 ' A' ' 54' ' ' ILE . 25.4 t -135.05 137.31 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -112.03 72.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.861 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -59.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.99 -61.14 0.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -170.71 34.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 3.9 mm-40 -138.94 159.21 67.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.947 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 13.3 tp -67.48 -59.81 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 87.92 57.23 1.95 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.899 HG22 HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -151.3 145.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -101.09 145.03 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.513 HD13 HD12 ' A' ' 44' ' ' ILE . 2.7 pp -136.67 154.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 4.3 m -134.05 152.3 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -102.37 146.79 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -109.93 168.97 13.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.21 69.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -178.44 -38.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' ALA . . . 126.1 -0.09 7.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.23 174.82 33.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD12 HD13 ' A' ' 36' ' ' ILE . 21.4 mm -137.87 135.49 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 51.2 m-85 -137.97 133.25 33.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.32 134.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.05 -20.19 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 162.84 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -127.43 161.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.446 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 93.1 m -107.9 132.65 53.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.85 136.44 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.69 24.55 71.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -106.33 155.44 19.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.861 HG21 ' HD2' ' A' ' 27' ' ' LYS . 34.5 mm -40.14 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.947 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -39.74 -57.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -43.51 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ILE . 37.0 mt-30 -62.02 -41.88 98.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -60.32 -31.84 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.82 41.08 2.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -84.48 -177.24 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.12 166.0 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.8 t80 -75.74 151.41 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.99 -13.85 58.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.56 103.47 5.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 2.8 tt0 -67.65 131.13 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.3 123.57 35.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.59 -57.89 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -142.34 144.86 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.646 ' CD1' HG22 ' A' ' 85' ' ' ILE . 37.2 t80 -114.92 106.33 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.1 m-20 56.12 19.12 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.27 -36.66 3.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.899 HD13 HG23 ' A' ' 85' ' ' ILE . 1.2 mt -48.44 149.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -98.7 92.69 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 74' ' ' LEU . 26.4 mt -75.91 -24.63 55.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -22.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.11 51.12 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . -131.54 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.457 ' C ' HD11 ' A' ' 44' ' ' ILE . 71.0 p -83.86 -179.69 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.6 pt-20 -74.36 -37.97 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -67.18 -44.91 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.455 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.1 OUTLIER -65.91 -41.55 91.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -64.62 -40.84 96.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -65.07 -10.81 33.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.22 -54.04 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.899 HG23 HD13 ' A' ' 72' ' ' ILE . 14.7 mt -49.52 -39.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.578 ' HB ' HD22 ' A' ' 32' ' ' LEU . 4.8 pt -78.01 -31.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.44 25.74 10.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -91.84 -173.23 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -105.86 145.37 31.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.82 104.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 108.266 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.08 -43.19 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.6 m -136.11 121.96 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.458 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -130.88 144.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.7 m -106.33 154.85 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 83.9 mt -132.71 140.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 20' ' ' PRO . 58.4 tp -111.0 85.63 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.46 169.2 12.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -160.91 79.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -38.07 126.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 103' ' ' VAL . 12.6 t-20 -133.74 115.95 13.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -75.02 54.79 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 101' ' ' PRO . 1.6 m170 -175.87 48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.3 m -116.2 54.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.37 -177.27 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -136.57 154.74 50.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 tp -132.1 150.8 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.15 109.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -178.0 96.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -113.3 125.82 54.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -124.17 -53.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 55.69 96.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t -144.11 129.46 18.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 139.8 109.94 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.07 5.41 22.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.2 p -143.19 118.47 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.48 156.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -167.06 139.9 3.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.05 -76.82 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m 62.97 126.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.43 148.93 31.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 131.33 2.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.28 -135.79 3.26 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.3 119.99 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.53 165.09 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -171.72 -43.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 83.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.48 136.39 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -100.09 127.82 32.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -74.98 -27.76 9.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 10.8 m-85 -173.36 -50.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.27 -175.91 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.5 mm-40 -80.73 101.01 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 4.7 mm-40 -38.49 156.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.96 124.45 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -104.21 171.75 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.45 ' CE1' HD13 ' A' ' 96' ' ' LEU . 3.1 m80 -123.66 85.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.625 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.534 HG23 ' HG3' ' A' ' 21' ' ' ARG . 48.0 t -79.35 119.54 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -81.74 160.92 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 54' ' ' ILE . 27.2 t -135.28 136.2 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 mt-30 -111.72 68.99 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -56.47 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.18 -69.42 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.78 36.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -139.18 162.23 53.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.541 HD23 HG12 ' A' ' 34' ' ' ILE . 15.9 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 76.25 67.74 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.693 HD11 HD12 ' A' ' 86' ' ' ILE . 1.1 pt -152.53 161.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -115.72 143.04 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.463 ' HB ' ' CG2' ' A' ' 44' ' ' ILE . 2.7 pp -133.58 149.15 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -135.33 148.53 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -100.7 146.97 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.5 141.27 16.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.46 -54.54 7.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -44.62 28.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 147.29 6.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.31 173.77 18.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.4 mm -125.11 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 82.4 m-85 -128.79 141.12 51.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.53 125.12 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.514 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -94.26 -22.7 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.48 172.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG23 HG22 ' A' ' 34' ' ' ILE . 2.1 p -150.84 113.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -55.58 149.68 13.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.797 HG23 ' CE1' ' A' ' 56' ' ' HIS . 4.0 p -93.51 135.74 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.92 -24.24 13.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -68.84 159.29 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.506 HG21 ' HD2' ' A' ' 27' ' ' LYS . 32.1 mm -40.11 -59.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.64 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.797 ' CE1' HG23 ' A' ' 51' ' ' VAL . 1.1 t-80 -37.04 -57.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.66 -47.6 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.26 -34.58 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' HIS . . . 98.6 41.98 3.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.04 156.8 26.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -145.88 165.01 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.622 ' OH ' HD21 ' A' ' 106' ' ' LEU . 6.9 t80 -77.79 151.98 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.31 -13.31 55.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.7 tt0 -60.99 117.25 5.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -74.57 107.97 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.3 mt -76.54 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 42.9 mt-10 -146.47 121.62 10.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 12.5 t80 -94.34 114.36 26.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.96 14.68 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.68 37.38 5.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 85' ' ' ILE . 4.6 mt -116.14 125.0 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -56.96 97.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 69' ' ' PHE . 13.5 mt -94.72 -26.59 16.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -48.36 -23.59 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 m -127.88 53.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.27 159.88 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.468 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 82.1 p -97.47 -176.75 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 36' ' ' ILE . 1.5 pt-20 -75.62 -37.51 59.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -66.57 -47.41 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.255 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -50.4 -64.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.34 -30.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 82' ' ' ALA . 8.1 mt -84.31 -52.7 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.749 HD13 HG21 ' A' ' 72' ' ' ILE . 49.8 mt -54.41 -55.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.693 HD12 HD11 ' A' ' 34' ' ' ILE . 3.0 pt -66.83 -36.4 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.61 41.78 3.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.79 -173.83 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -113.3 143.82 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 161.65 121.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -49.34 -50.2 40.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.8 m -129.27 122.9 30.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.37 144.14 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.9 m -103.74 156.29 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.8 mt -132.42 141.03 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 21' ' ' ARG . 57.5 tp -109.73 90.7 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.56 161.99 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' TYR . 23.5 tt0 -159.36 75.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' GLN . 20.8 t80 -37.78 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -145.92 118.12 5.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.53 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -154.93 47.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -140.23 145.26 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -178.47 -61.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.568 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -52.88 126.42 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.622 HD21 ' OH ' ' A' ' 62' ' ' TYR . 38.7 mt -99.94 170.58 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -60.98 139.54 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.77 88.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.2 m170 58.28 95.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 1.5 t -113.96 79.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 110' ' ' SER . 20.4 ptt180 44.55 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 64.1 p -107.24 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 144.63 7.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -118.79 80.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.9 t -150.73 -56.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.2 p -140.4 101.05 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -136.68 156.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.3 -176.52 36.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -156.43 152.78 27.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m 59.93 109.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.61 -174.71 25.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.68 -99.59 0.86 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.07 146.42 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.05 99.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -139.26 161.24 37.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.09 -68.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -86.97 112.35 21.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -85.39 145.4 42.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' C ' ' CG ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.04 -17.49 19.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CZ ' ' O ' ' A' ' 14' ' ' ARG . 5.2 m-85 68.39 -62.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.54 HG13 ' NE2' ' A' ' 98' ' ' GLN . 14.6 p -144.35 134.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 5.9 mt-10 -41.12 107.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.3 mt-10 -37.59 156.05 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.98 131.07 13.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' HD22 ' A' ' 96' ' ' LEU . 5.3 ptm180 -105.52 169.4 8.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' CD2' ' A' ' 96' ' ' LEU . 1.9 m80 -118.62 107.56 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.37 120.24 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.518 ' HG2' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -82.48 154.05 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.605 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 27.5 t -134.23 135.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.63 72.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.946 ' HG3' HG21 ' A' ' 54' ' ' ILE . 14.8 mttt -64.07 -100.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.81 -70.23 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.04 32.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -145.76 157.79 50.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 ' CD1' HG11 ' A' ' 25' ' ' VAL . 13.3 tp -75.46 -54.01 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 64.59 1.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.688 HG22 HG23 ' A' ' 49' ' ' VAL . 1.3 pt -147.69 145.67 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 t -98.66 142.96 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 79' ' ' GLU . 2.6 pp -132.15 160.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -150.62 148.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -99.99 148.59 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.3 150.61 17.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.1 -18.29 46.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -40.17 64.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.63 135.69 5.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.36 -176.01 16.32 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.715 HD11 ' C ' ' A' ' 78' ' ' THR . 17.7 mm -127.05 132.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 65' ' ' GLN . 91.2 m-85 -119.76 146.82 45.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -76.32 121.89 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.474 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -94.31 -19.2 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.12 169.54 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.688 HG23 HG22 ' A' ' 34' ' ' ILE . 2.6 p -149.27 102.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -38.59 142.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.472 HG13 ' CE1' ' A' ' 56' ' ' HIS . 70.5 t -93.07 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 92.32 -5.31 77.85 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -86.7 167.46 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.946 HG21 ' HG3' ' A' ' 27' ' ' LYS . 46.4 mm -38.94 -64.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.522 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -37.99 -65.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.472 ' CE1' HG13 ' A' ' 51' ' ' VAL . 1.9 t-80 -38.47 -52.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.89 -45.94 78.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.18 -45.01 94.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.66 48.8 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 60' ' ' LEU . 15.4 mt -91.47 152.95 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.89 172.74 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.1 t80 -86.53 154.67 20.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 82.88 -9.21 60.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.0 92.55 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 2.1 tt0 -59.21 133.32 55.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.33 122.88 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 96' ' ' LEU . 9.7 mt -97.99 -40.86 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LEU . 55.5 mt-10 -148.86 139.05 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.548 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.4 t80 -115.93 105.05 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 3.9 t-20 58.86 16.31 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.86 -32.2 4.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.888 HD13 HG23 ' A' ' 85' ' ' ILE . 2.6 mt -50.23 162.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.476 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 2.5 t30 -107.95 105.19 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 69' ' ' PHE . 4.0 mm? -79.68 -41.62 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.62 -29.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -120.17 45.51 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -125.13 -176.43 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.715 ' C ' HD11 ' A' ' 44' ' ' ILE . 43.6 p -135.31 -177.91 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.6 pt-20 -69.59 -35.46 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 81' ' ' GLN . 18.4 pt20 -70.25 -51.89 27.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.457 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.2 OUTLIER -56.36 -59.31 5.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . . . -42.6 -63.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -41.49 -35.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.09 -43.96 18.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.888 HG23 HD13 ' A' ' 72' ' ' ILE . 55.7 mt -58.11 -57.5 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 13.5 pt -64.39 -30.9 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.97 37.0 3.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -99.41 -174.23 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -112.97 142.06 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 166.29 122.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -52.95 -48.62 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.7 m -132.95 123.18 25.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.733 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -133.33 152.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 24' ' ' LYS . 3.5 m -108.38 162.69 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.616 HG13 HD11 ' A' ' 93' ' ' ILE . 36.1 mt -139.99 141.19 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.732 HD11 HD12 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -110.85 113.78 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.641 ' N ' HD13 ' A' ' 96' ' ' LEU . . . -123.1 176.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.54 ' NE2' HG13 ' A' ' 17' ' ' VAL . 29.2 tt0 -171.83 93.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -43.25 138.19 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -126.7 113.56 22.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 51.58 2.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -134.66 -46.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.56 154.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -167.6 171.72 10.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.566 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER 82.0 135.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.49 86.6 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.9 p -42.08 126.86 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.73 151.97 24.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -113.55 80.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.599 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.2 p -67.67 166.08 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -172.7 151.03 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -148.04 153.27 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.17 -166.1 13.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.0 p -168.64 169.33 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.4 t -69.02 166.69 17.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -179.39 80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.12 160.93 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 -161.71 16.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.17 115.33 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -65.85 146.39 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 -142.51 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.73 62.91 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -95.34 124.83 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -70.53 146.79 49.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 129.88 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.47 152.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -142.29 135.3 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -64.9 153.41 88.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -20.32 17.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -50.52 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p -142.59 149.67 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.51 106.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 159.69 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.543 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.01 155.6 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG3' HG23 ' A' ' 23' ' ' VAL . 2.5 ptp180 -132.2 157.11 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.751 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.4 m80 -114.41 102.79 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.469 HG23 ' HG3' ' A' ' 21' ' ' ARG . 43.3 t -97.63 125.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 158.43 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.5 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 23.7 t -133.11 134.32 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.79 68.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -57.19 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.01 -67.4 1.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.64 37.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -141.9 161.38 51.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.9 21.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 34' ' ' ILE . 17.8 tp -79.05 -55.13 5.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 78.48 68.12 1.53 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.894 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -153.97 150.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.75 150.3 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.06 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 79' ' ' GLU . 2.4 pp -141.26 153.44 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -139.79 149.26 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -102.03 147.03 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.75 178.08 20.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 96.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.83 40.08 1.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.99 -142.44 9.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.99 -152.4 22.6 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 18.8 mm -117.59 137.61 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 69.5 m-85 -127.14 143.96 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.03 129.95 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -103.37 -15.32 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.32 166.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.894 HG23 HG22 ' A' ' 34' ' ' ILE . 3.4 p -150.5 114.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.5 m -54.99 144.92 21.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -97.13 128.78 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 2.26 62.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ILE . 56.2 m -100.54 168.43 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.667 HG21 ' HD2' ' A' ' 27' ' ' LYS . 40.2 mm -39.44 -62.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.517 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.2 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -39.83 -49.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -57.62 -43.66 84.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -63.6 -37.21 86.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 54.71 0.82 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.1 mt -98.33 166.25 11.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -159.07 167.15 30.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.3 t80 -79.53 154.33 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.6 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.62 -12.03 60.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.99 97.64 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.3 tt0 -64.03 125.19 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.37 108.53 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 67' ' ' LEU . 23.2 mt -78.11 -55.02 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 3.6 mt-10 -144.88 139.98 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.829 ' CD1' HG22 ' A' ' 85' ' ' ILE . 47.1 t80 -111.54 102.56 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.413 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER 57.88 17.8 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.44 -39.42 2.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.799 HD13 HG23 ' A' ' 85' ' ' ILE . 1.9 mt -54.12 129.69 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -80.25 114.56 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 4.3 mm? -81.29 -37.27 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -41.51 -34.96 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -99.33 -34.45 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.724 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -53.18 146.03 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 67.1 p -94.23 -170.84 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.0 pt-20 -74.28 -37.83 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -72.28 -43.0 64.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -67.8 -40.44 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.25 99.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -63.45 -13.14 37.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.53 -54.89 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.829 HG22 ' CD1' ' A' ' 69' ' ' PHE . 17.7 mt -47.14 -50.06 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.6 pt -67.66 -35.41 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.84 44.52 3.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.19 -173.87 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.3 94.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.45 119.15 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.95 -51.28 9.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.8 m -132.54 125.58 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.749 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -134.43 152.3 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -109.62 162.36 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.444 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.557 HG13 HD11 ' A' ' 93' ' ' ILE . 72.4 mt -137.68 139.57 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 22' ' ' HIS . 56.8 tp -111.8 96.56 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.31 171.46 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -162.04 80.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -37.39 136.53 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -133.46 118.62 14.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 54.38 3.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -164.94 62.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.6 t -145.7 115.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.25 164.0 26.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 138.98 45.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 tp -165.42 81.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.88 165.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.978 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.14 82.19 1.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.64 122.02 46.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.04 121.73 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -128.96 121.28 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.0 m -98.73 146.31 26.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.6 95.75 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.59 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t 62.8 115.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 136.81 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.86 94.77 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.009 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -153.5 136.99 15.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.09 93.01 2.21 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 121.92 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.24 80.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.84 111.99 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.7 -150.48 22.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 44.64 74.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 127.62 33.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.74 139.24 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 108.45 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 110.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -118.18 148.0 42.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.38 19.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -44.96 -46.56 11.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.52 -176.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' GLU . 3.0 mt-10 -80.04 101.45 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.47 151.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.707 ' HB3' HD11 ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.95 95.48 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.734 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.9 ptm85 -80.31 155.87 27.04 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CE1' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -104.91 89.23 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.549 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 60.2 t -70.69 123.56 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -85.51 157.06 20.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.852 HG11 ' CD1' ' A' ' 32' ' ' LEU . 6.8 t -134.32 131.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -108.38 69.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -53.08 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.44 -57.24 5.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -148.22 151.79 37.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.28 31.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.852 ' CD1' HG11 ' A' ' 25' ' ' VAL . 9.7 tp -66.66 -60.76 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.56 57.63 2.71 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.833 HG22 HG23 ' A' ' 49' ' ' VAL . 2.0 pt -138.35 140.51 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.67 150.68 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.666 HD13 HD12 ' A' ' 44' ' ' ILE . 2.6 pp -140.15 153.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG13 ' CB ' ' A' ' 47' ' ' SER . 2.4 m -136.8 148.82 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -100.41 145.69 27.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.98 163.8 20.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.32 58.3 3.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.767 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.38 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.38 149.54 4.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.8 154.64 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 36' ' ' ILE . 25.4 mm -118.85 132.35 68.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -127.59 136.9 52.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.53 126.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -103.44 -15.69 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.18 161.96 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.833 HG23 HG22 ' A' ' 34' ' ' ILE . 3.1 p -151.66 104.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.2 m -42.68 144.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.27 135.91 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 89.0 -30.13 5.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.86 167.98 10.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 43.7 mm -39.56 -57.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.744 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -37.33 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 4.1 t-80 -39.05 -55.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.644 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -51.46 -46.89 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.73 36.68 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.29 137.84 32.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -126.91 172.64 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 8.5 t80 -81.22 152.51 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.483 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.01 -16.87 44.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.18 114.67 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.32 123.96 28.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.09 127.1 34.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.882 HD12 HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -90.88 -56.37 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 mp0 -142.56 157.16 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.755 ' CD1' HG22 ' A' ' 85' ' ' ILE . 42.2 t80 -122.92 104.41 9.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 59.64 17.97 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.78 -32.41 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.693 HD13 HG23 ' A' ' 85' ' ' ILE . 4.8 mt -59.25 133.61 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -73.88 127.18 32.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 77' ' ' ALA . 7.7 mt -111.85 -33.2 6.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -43.51 -27.29 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -130.41 51.37 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HB3' HD23 ' A' ' 74' ' ' LEU . . . -118.83 157.03 28.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 p -94.53 153.56 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 3.7 pt-20 -51.59 -23.83 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -82.02 -57.39 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.514 ' N ' HE21 ' A' ' 81' ' ' GLN . 0.0 OUTLIER -58.35 -32.62 68.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -68.82 -44.34 73.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.547 ' HA ' HD11 ' A' ' 86' ' ' ILE . 77.4 mtm180 -68.16 -8.0 34.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.361 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.759 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -98.92 -54.26 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.755 HG22 ' CD1' ' A' ' 69' ' ' PHE . 20.2 mt -51.48 -53.26 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.0 pt -60.37 -23.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 9.89 71.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 8.0 mm-40 -62.96 -174.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.477 HE21 ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -131.54 119.01 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -170.37 123.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.57 -51.58 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.1 m -126.78 117.96 23.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.43 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -128.39 141.47 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -98.24 154.1 18.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.502 ' CD1' HG21 ' A' ' 25' ' ' VAL . 76.5 mt -134.89 143.45 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.4 107.31 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -111.54 164.64 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HB2' HD11 ' A' ' 67' ' ' LEU . 38.5 tt0 -155.62 78.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.24 125.31 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.446 ' O ' HG12 ' A' ' 103' ' ' VAL . 3.8 m-20 -122.99 115.01 29.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.32 3.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -157.4 48.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 100' ' ' ASN . 4.1 p -152.49 141.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -171.9 81.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -107.51 143.86 35.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.7 mt 60.6 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.91 -59.92 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 121.73 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.54 142.55 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.648 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.8 p -166.35 139.08 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -130.58 116.88 18.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.12 158.46 16.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.83 100.07 2.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 71.86 4.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.8 149.67 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.2 t -70.9 85.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.959 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p 55.11 169.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -134.15 146.03 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.79 73.46 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -127.28 164.49 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 p -88.22 100.12 12.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 -126.6 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.12 157.7 28.05 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.03 59.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.91 95.18 8.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.0 ptp180 -148.99 -50.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -96.76 147.51 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -128.79 133.53 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -111.05 99.88 44.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -18.39 18.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -44.51 -56.43 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 17' ' ' VAL . 10.6 p -147.79 112.47 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.45 105.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -37.74 155.81 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.589 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.04 141.21 26.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD22 ' A' ' 96' ' ' LEU . 14.0 ptm180 -110.61 163.92 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -114.22 95.11 5.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG23 ' HG3' ' A' ' 21' ' ' ARG . 75.6 t -86.05 120.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -86.17 153.16 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 54' ' ' ILE . 19.1 t -131.74 132.34 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.05 70.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.781 ' HD2' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -60.8 -84.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.86 -67.27 2.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -159.85 40.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.22 157.1 57.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 HG12 ' A' ' 34' ' ' ILE . 14.2 tp -78.24 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.73 61.21 2.19 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.729 HG22 HG23 ' A' ' 49' ' ' VAL . 1.1 pt -147.5 151.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -109.95 143.57 39.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.608 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -132.4 150.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.5 m -137.1 151.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -104.48 148.39 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.08 -154.9 30.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.29 68.11 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt 67.44 42.38 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.36 -148.56 9.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.89 -149.38 5.51 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 16.3 mm -127.6 141.16 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 77.1 m-85 -126.3 150.33 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 66' ' ' LEU . 54.8 t -77.61 128.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -99.71 -20.44 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 167.62 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.729 HG23 HG22 ' A' ' 34' ' ' ILE . 2.5 p -149.97 113.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -55.58 134.45 50.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 76.6 t -85.86 131.46 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.99 -14.64 64.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -82.73 165.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.781 HG21 ' HD2' ' A' ' 27' ' ' LYS . 32.3 mm -38.49 -59.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.599 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -39.84 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ALA . 11.8 t-80 -37.3 -56.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -49.57 -46.35 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.91 -44.53 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.57 46.32 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 60' ' ' LEU . 17.5 mt -85.83 153.99 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -144.22 163.98 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 5.9 t80 -80.24 154.88 27.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 76.82 -1.54 62.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 89.29 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.6 tt0 -48.8 133.11 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 46' ' ' VAL . 8.7 mt -88.86 113.92 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.876 HD12 ' CD1' ' A' ' 96' ' ' LEU . 15.3 mt -82.14 -71.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 19.5 mt-10 -134.73 137.81 43.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 54.7 t80 -106.06 99.14 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.432 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.2 t-20 58.09 17.57 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.86 -44.57 1.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.696 HG21 HD13 ' A' ' 85' ' ' ILE . 3.8 mt -50.78 129.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -82.04 120.29 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 69' ' ' PHE . 4.5 mm? -85.74 -40.25 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 2.5 mtp-105 -38.08 -35.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.23 57.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.31 173.36 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.3 p -124.16 149.45 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.456 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -44.82 -38.11 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.79 -38.56 86.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.57 -54.57 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -46.32 -41.78 13.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -65.58 -34.17 77.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' GLN . 13.0 mt -78.44 -39.6 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.696 HD13 HG21 ' A' ' 72' ' ' ILE . 41.9 mt -63.13 -64.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.581 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.4 pt -53.0 -24.72 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.23 15.82 61.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.7 mm-40 -66.06 -174.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.98 124.38 39.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.83 124.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.88 -53.79 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.2 m -130.44 122.22 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.61 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -130.31 147.55 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 m -108.4 158.12 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.458 HG13 HD11 ' A' ' 93' ' ' ILE . 11.8 mt -139.65 147.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.876 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.8 tm? -114.71 115.13 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -115.18 176.73 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -169.28 90.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -38.97 135.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -126.46 106.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 54.76 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -161.94 48.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.6 p -156.59 66.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 12.4 p80 -106.59 64.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -100.87 170.76 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mp 66.16 159.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.4 t -67.14 85.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.2 158.32 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.07 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.5 t -130.57 151.99 50.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -103.83 108.48 19.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -100.49 110.0 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.27 160.02 23.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.0 m 59.97 117.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.3 t -88.61 88.41 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.949 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m 44.31 80.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.15 136.4 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.1 113.8 1.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 m -97.62 85.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.764 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -151.87 146.48 25.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.02 145.61 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.99 172.63 40.94 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.48 123.9 48.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.44 171.58 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 163.67 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.9 129.18 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -104.64 -175.14 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 18' ' ' GLU . 17.6 mtm105 -116.95 83.02 14.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.07 -0.42 9.97 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' CE1' ' HD2' ' A' ' 15' ' ' PRO . 8.6 p90 -152.68 -50.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER -170.04 169.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.5 mt-10 -59.35 108.25 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' GLU . 6.3 mt-10 -37.01 154.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.99 148.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -128.11 164.11 23.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.0 m80 -115.15 99.76 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.24 123.75 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -86.75 152.97 22.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.666 HG11 ' CD1' ' A' ' 32' ' ' LEU . 8.4 t -133.68 131.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 71.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HE2' HD13 ' A' ' 32' ' ' LEU . 12.9 mmtt -55.83 -71.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.38 -59.02 4.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -165.93 34.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -147.24 153.56 44.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.19 10.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.666 ' CD1' HG11 ' A' ' 25' ' ' VAL . 12.5 tp -77.11 -53.97 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.32 59.67 3.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.648 HG23 ' CB ' ' A' ' 55' ' ' ALA . 1.4 pt -141.01 139.57 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -93.41 143.41 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.7 pp -136.26 146.84 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.796 HG13 ' HB3' ' A' ' 47' ' ' SER . 3.1 m -124.56 149.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -101.1 147.06 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.14 -5.93 52.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 48.75 40.9 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.8 -39.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.31 -115.49 4.01 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.12 -147.34 6.17 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -107.07 142.52 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -132.98 137.77 46.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.88 133.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.796 ' HB3' HG13 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -106.46 -20.77 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 169.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.554 HG23 HG22 ' A' ' 34' ' ' ILE . 1.7 p -147.12 119.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -57.07 135.08 56.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.43 129.2 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.71 -23.67 31.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 p -70.31 166.18 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.516 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 39.2 mm -40.75 -55.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.648 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -40.63 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -40.45 -42.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.35 -42.65 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 25' ' ' VAL . . . -60.54 -37.84 82.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.26 44.25 2.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.75 148.69 21.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.78 172.83 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 7.2 t80 -82.84 155.69 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.566 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 84.0 -10.29 60.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.37 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -74.98 125.34 28.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.1 116.19 23.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.4 mt -87.54 -51.7 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -138.34 153.09 48.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.6 ' CD2' HG22 ' A' ' 85' ' ' ILE . 60.4 t80 -126.62 96.13 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.37 11.11 8.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 123.09 -27.49 5.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.745 HG21 HD13 ' A' ' 85' ' ' ILE . 1.8 mt -60.58 141.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.69 100.22 11.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 74' ' ' LEU . 13.2 mt -82.04 -24.51 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -45.49 -27.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -129.8 62.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.98 155.12 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 p -97.09 147.4 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -41.28 8.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.647 ' O ' HD12 ' A' ' 84' ' ' LEU . 10.8 pt20 -64.33 -39.65 94.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.34 -47.77 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -50.76 -56.08 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HA ' HD11 ' A' ' 86' ' ' ILE . 96.4 mtt180 -50.83 -27.17 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 80' ' ' GLN . 6.4 mt -85.47 -56.1 3.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.745 HD13 HG21 ' A' ' 72' ' ' ILE . 62.3 mt -48.19 -41.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . 2.4 pt -79.86 -35.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.18 35.95 3.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 3.3 mt-30 -98.22 -173.91 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.526 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 1.8 pm0 -103.55 143.48 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 164.49 107.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.01 -46.9 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.8 m -132.07 127.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -139.04 146.39 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 m -106.87 157.55 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.424 HG13 HD11 ' A' ' 93' ' ' ILE . 6.4 mt -132.52 140.36 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.584 HD13 ' CE1' ' A' ' 22' ' ' HIS . 20.8 tp -111.3 83.22 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.69 175.86 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -169.45 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -37.52 127.29 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.554 ' OD1' HG21 ' A' ' 17' ' ' VAL . 1.3 t30 -134.47 118.7 13.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 -152.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 49.25 27.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 t -127.09 137.84 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.95 154.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -150.55 146.2 26.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mp -115.16 126.61 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.1 p -105.19 168.35 9.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.4 m -115.4 172.69 6.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -146.9 175.67 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.44 166.22 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 163.32 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 p -141.79 172.36 12.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -117.41 156.51 15.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.18 152.47 29.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.85 162.31 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.4 m -163.92 170.25 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.73 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -174.24 161.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.9 100.51 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.03 85.81 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.51 168.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.74 147.37 5.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.44 -62.69 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.13 151.45 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -88.09 139.46 30.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.37 143.82 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.95 116.62 30.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.8 153.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.55 144.64 44.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 -17.29 19.66 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 57.35 -84.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' PRO . 8.5 p -124.71 154.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.81 105.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -40.92 155.76 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.748 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -74.99 131.71 14.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.859 ' O ' HD12 ' A' ' 96' ' ' LEU . 12.2 ptm180 -110.38 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -126.28 96.18 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.9 t -87.95 123.26 40.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -90.5 152.83 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.616 ' CG1' HG22 ' A' ' 54' ' ' ILE . 15.7 t -134.53 132.66 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -106.3 70.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -49.62 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.49 59.89 3.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -145.53 159.39 48.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.94 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 34' ' ' ILE . 21.3 tp -105.42 -46.94 4.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' C ' ' HG1' ' A' ' 50' ' ' THR . . . 72.65 66.0 2.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 1.1 pt -147.35 143.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 t -99.49 145.18 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -134.24 157.98 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -149.11 148.54 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -101.26 146.66 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.45 -162.14 30.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.16 63.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 69.02 45.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.66 -129.28 4.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.13 -154.28 23.32 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.414 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 20.6 mm -118.13 133.45 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 94.1 m-85 -121.35 144.71 48.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.51 ' CG2' HD21 ' A' ' 66' ' ' LEU . 94.4 t -74.89 123.0 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.531 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -95.4 -11.14 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.67 173.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.4 p -146.73 60.47 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.2 m 28.13 -139.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 50' ' ' THR . 13.4 t -161.1 116.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 73.24 4.9 65.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -79.94 166.02 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.616 HG22 ' CG1' ' A' ' 25' ' ' VAL . 37.3 mm -36.77 -58.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.586 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -46.55 -59.39 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.424 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 16.4 t-80 -47.15 -42.99 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -68.28 -30.99 70.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.02 47.99 1.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 60' ' ' LEU . 14.7 mt -94.11 -176.58 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -167.73 162.68 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 4.8 t80 -76.7 149.01 36.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.481 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.41 -11.49 67.8 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 105.65 7.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' OE1' HD23 ' A' ' 67' ' ' LEU . 1.4 tm0? -65.97 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.51 HD21 ' CG2' ' A' ' 46' ' ' VAL . 12.0 mt -90.98 96.08 10.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD23 ' OE1' ' A' ' 65' ' ' GLN . 69.4 mt -64.65 -57.62 8.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.14 148.12 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.767 ' HB2' HD11 ' A' ' 74' ' ' LEU . 49.0 t80 -109.1 99.45 8.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.585 ' ND2' ' CD1' ' A' ' 69' ' ' PHE . 15.7 p30 44.74 26.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 69' ' ' PHE . . . 97.56 55.66 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.02 ' CG2' HD13 ' A' ' 85' ' ' ILE . 1.4 mt -146.17 107.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.79 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.59 121.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 69' ' ' PHE . 18.0 mt -118.53 -42.37 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -45.49 -26.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 m -123.7 36.48 4.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.53 164.03 12.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 81' ' ' GLN . 7.4 p -107.74 147.64 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -43.59 -42.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HG3' ' NE2' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -60.72 -40.86 93.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.56 -52.36 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -48.02 -58.27 4.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.4 mtt85 -48.97 -27.96 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.2 -51.95 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.02 HD13 ' CG2' ' A' ' 72' ' ' ILE . 65.9 mt -55.3 -42.83 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.549 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 2.6 pt -75.04 -32.05 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 36.02 3.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.95 -172.38 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.441 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -114.8 118.66 34.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -167.57 105.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.293 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . 87.7 m-20 -39.28 -43.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 11.8 m -135.95 112.16 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.644 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -118.45 144.26 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -109.09 157.5 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.7 mt -133.04 147.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.859 HD12 ' O ' ' A' ' 21' ' ' ARG . 48.9 tp -117.04 85.17 2.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.04 172.18 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 34.7 tt0 -169.54 80.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 52.6 t80 -36.67 136.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.421 ' OD1' HG21 ' A' ' 17' ' ' VAL . 4.7 m-20 -132.94 116.13 14.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.41 3.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 57.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -137.55 127.16 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.74 127.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -145.58 102.4 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.7 mt 52.97 176.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.21 154.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.14 94.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -170.73 168.54 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.0 t -102.72 113.06 26.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -100.57 165.19 11.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 t -131.37 144.55 51.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -164.17 157.64 30.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 m -114.35 101.96 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.8 t -130.25 141.32 50.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.34 106.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 144.95 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.08 172.59 14.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -115.94 -68.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.05 157.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 138.03 31.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.02 119.7 5.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -133.7 67.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.83 112.18 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.45 108.47 9.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -169.37 161.46 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ARG . 6.7 p-10 -168.71 116.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER 38.29 79.51 0.31 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.1 14.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.53 -47.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.85 172.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 23.8 mp0 -75.05 102.37 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -36.22 153.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.643 ' HB3' HD11 ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.638 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -86.79 152.21 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.502 ' CE1' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -102.35 98.66 8.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' ILE . 97.7 t -84.84 128.31 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.77 162.83 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 20.6 t -137.83 141.72 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.32 70.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 54' ' ' ILE . 1.6 mptt -62.58 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.79 -59.12 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.69 35.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' CG ' HD11 ' A' ' 54' ' ' ILE . 1.2 pm0 -147.04 158.71 44.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.52 18.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 34' ' ' ILE . 19.7 tp -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 87.97 61.77 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.741 HG22 HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -155.46 155.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.9 t -104.84 141.56 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.587 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -133.91 152.94 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.0 m -136.78 150.19 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -98.38 145.99 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.64 158.68 21.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -39.18 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -58.66 -40.91 84.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.57 -135.22 4.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.63 157.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.601 HD11 ' C ' ' A' ' 78' ' ' THR . 8.7 mm -122.79 144.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -140.88 132.25 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 68.8 t -56.88 133.9 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -107.25 -18.23 13.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.15 157.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -129.8 154.2 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.4 m -104.75 119.38 38.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.6 t -69.07 133.46 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.89 45.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.03 160.89 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 27' ' ' LYS . 45.7 mm -37.73 -62.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -37.56 -68.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ALA . 48.8 t-80 -38.57 -50.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.34 -46.76 82.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.55 -31.96 69.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.27 36.84 4.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -82.44 175.53 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.94 175.16 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 3.3 t80 -84.49 151.34 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.513 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.06 -5.93 81.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.79 114.53 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.65 113.7 16.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.96 127.3 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 HD22 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -95.85 -57.85 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 36.2 mt-10 -133.19 177.99 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' A' ' 85' ' ' ILE . 49.1 t80 -152.29 98.03 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.5 m-20 58.63 17.92 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.69 -30.56 4.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.671 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -62.29 158.39 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 1.9 t-20 -108.7 103.76 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 79.3 mt -84.26 -23.03 30.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -20.02 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ALA . 4.3 m -119.06 -36.67 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . . . -42.86 164.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.601 ' C ' HD11 ' A' ' 44' ' ' ILE . 1.3 p -101.75 -167.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 4.6 pt-20 -83.45 -37.76 22.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.51 72.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -36.96 55.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.587 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -67.78 -41.77 82.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -65.04 -11.64 41.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.28 -54.65 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.671 HG23 HD13 ' A' ' 72' ' ' ILE . 15.7 mt -47.16 -47.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -69.44 -32.65 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 37.11 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.45 -173.82 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -103.42 146.96 27.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.84 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.263 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -48.09 -44.42 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.1 m -134.61 116.73 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -125.65 141.03 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.2 m -97.54 152.54 18.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' VAL . 89.2 mt -136.88 144.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.727 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -114.16 105.51 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -107.22 173.69 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 67' ' ' LEU . 37.9 tt0 -165.37 77.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.09 127.64 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -124.55 114.68 27.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -160.22 54.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -169.75 123.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -169.63 129.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -122.94 109.53 14.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.57 118.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 p -110.77 112.54 24.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.08 130.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.08 177.13 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.544 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -128.22 175.26 8.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.15 159.6 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -70.12 111.79 6.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.24 -178.42 1.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -51.71 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.435 1.755 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.31 161.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 87.6 p -132.0 165.06 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.18 151.28 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -58.83 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.35 141.89 10.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.91 113.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 155.57 44.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.62 -73.6 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.45 153.92 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.78 123.07 48.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.91 94.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.64 136.71 16.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.08 149.71 39.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.4 164.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 114.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' TYR . 18.2 Cg_endo -75.05 -28.36 9.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -36.96 -52.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' HD3' ' A' ' 101' ' ' PRO . 15.0 p -170.09 146.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 2.1 mt-10 -47.2 107.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' GLU . 21.1 mt-10 -38.52 156.39 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.702 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.1 Cg_endo -75.03 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.432 1.754 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 96' ' ' LEU . 9.4 ptm180 -94.52 171.44 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.619 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.7 m80 -117.26 88.48 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.499 HG11 HD21 ' A' ' 60' ' ' LEU . 54.1 t -73.01 121.64 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.76 ' HG2' HG23 ' A' ' 94' ' ' THR . 0.4 OUTLIER -87.42 160.31 18.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.571 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 3.0 t -140.82 146.31 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -124.2 54.66 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HG2' HG21 ' A' ' 54' ' ' ILE . 12.0 mttt -38.74 -66.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.16 -60.01 4.26 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -165.42 36.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -148.61 150.14 32.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.33 42.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD1' HG11 ' A' ' 25' ' ' VAL . 7.9 tp -55.99 -62.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.84 56.91 2.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.839 HG22 HG13 ' A' ' 49' ' ' VAL . 1.1 pp -143.78 132.95 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.59 148.89 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.3 pp -137.72 151.15 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -141.2 149.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -101.97 146.02 28.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.07 153.89 20.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -72.27 59.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.04 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.9 145.91 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.73 151.01 10.57 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 14.8 mm -116.3 139.83 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 52.2 m-85 -132.32 144.02 50.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 61.6 t -66.36 127.27 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.501 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.66 -24.75 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.73 175.07 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.839 HG13 HG22 ' A' ' 34' ' ' ILE . 1.5 t -115.38 -165.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.719 ' H ' HG12 ' A' ' 49' ' ' VAL . 1.2 m -119.0 -7.88 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' THR . 40.5 t 61.96 137.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.04 32.08 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -118.45 166.49 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.641 HG21 ' HG2' ' A' ' 27' ' ' LYS . 47.5 mm -37.72 -58.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.676 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -45.04 -64.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.4 t-80 -39.32 -46.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -61.25 -46.25 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -61.22 -17.16 51.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.53 6.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD21 HG11 ' A' ' 23' ' ' VAL . 81.0 mt -100.64 144.15 29.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -136.31 171.34 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 12.6 t80 -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.506 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.79 -31.81 4.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.34 101.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 8.4 tt0 -72.72 117.98 15.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.8 mt -72.69 106.63 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.686 HD11 ' OE1' ' A' ' 98' ' ' GLN . 59.3 mt -80.99 -50.92 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 28.5 mt-10 -149.43 137.69 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CD1' HG22 ' A' ' 85' ' ' ILE . 42.4 t80 -108.64 104.81 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.35 17.55 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 -45.15 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.685 HG21 HD13 ' A' ' 85' ' ' ILE . 2.2 mt -41.64 152.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -101.53 113.27 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.461 HD12 HG13 ' A' ' 44' ' ' ILE . 3.9 mm? -80.44 -40.44 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.73 -36.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -112.69 48.35 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -130.09 -177.31 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.468 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 51.2 p -135.36 178.42 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.4 pt-20 -68.16 -36.7 80.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 17.7 pt20 -68.69 -41.06 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.2 OUTLIER -71.26 -53.87 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -45.93 -55.67 6.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -53.02 -26.26 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' GLN . 16.7 mt -86.6 -38.86 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.685 HD13 HG21 ' A' ' 72' ' ' ILE . 67.5 mt -65.57 -64.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -54.44 -22.07 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 12.69 69.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 3.6 mm-40 -61.77 -174.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.4 ' O ' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.52 117.2 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.2 m -175.4 118.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -45.93 -52.59 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 4.0 m -125.66 112.92 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -122.48 147.61 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.76 HG23 ' HG2' ' A' ' 24' ' ' LYS . 3.1 m -102.27 162.9 12.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.446 HD12 HG21 ' A' ' 25' ' ' VAL . 4.5 mt -141.01 142.83 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 20' ' ' PRO . 47.4 tp -112.07 88.29 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.02 174.58 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.686 ' OE1' HD11 ' A' ' 67' ' ' LEU . 64.6 tt0 -168.07 83.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -38.15 143.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -134.35 109.93 11.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 54.49 3.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 101' ' ' PRO . 3.1 p-80 169.47 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.463 HG13 ' H ' ' A' ' 104' ' ' HIS . 1.9 p -136.25 -54.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.463 ' H ' HG13 ' A' ' 103' ' ' VAL . 78.9 m80 39.87 80.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -89.59 78.47 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.94 159.75 27.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.8 p -176.98 154.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 117.79 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -112.47 166.91 10.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.01 91.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.91 108.71 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 151.96 23.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.61 154.1 7.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 p -176.63 -62.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.7 m 58.71 93.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.11 89.82 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -162.4 134.25 5.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.39 137.46 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -148.43 123.0 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -91.14 87.6 6.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.54 146.4 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.52 136.63 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -176.15 169.66 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -89.01 95.1 10.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.44 120.77 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 162.42 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 3.8 m-20 -115.04 39.75 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER 77.63 92.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -13.08 21.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -49.11 -32.42 9.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -139.7 143.64 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' GLU . 4.6 mt-10 -43.52 107.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.2 mp0 -38.39 156.8 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.721 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.03 136.66 20.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.663 ' O ' HD12 ' A' ' 96' ' ' LEU . 5.0 ptm180 -118.8 169.56 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.561 ' CE1' HD13 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -116.94 116.46 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.65 118.73 56.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.01 157.1 28.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 54' ' ' ILE . 22.1 t -134.33 134.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 mt-30 -108.76 68.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.16 51.47 7.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.01 50.08 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.777 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 6.6 mm-40 -147.19 162.32 33.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.79 12.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.8 tp -102.09 -45.95 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 67.65 65.02 2.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.615 HG22 HG23 ' A' ' 49' ' ' VAL . 1.2 pt -143.74 155.22 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.39 146.04 41.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 79' ' ' GLU . 2.4 pp -138.49 153.67 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.3 m -140.98 149.08 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -99.84 146.62 26.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.79 70.36 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.54 83.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.4 35.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.8 -149.91 13.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.84 -160.82 5.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 78' ' ' THR . 18.6 mm -129.14 135.82 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 24.4 m-85 -127.36 133.09 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.84 129.11 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -102.47 -11.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.003 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 174.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 34' ' ' ILE . 2.8 p -155.95 100.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' GLY . 26.4 m -42.09 150.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.692 HG23 ' NE2' ' A' ' 56' ' ' HIS . 3.2 p -98.5 138.26 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.79 -20.34 28.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -76.68 163.63 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.506 HG22 ' CG1' ' A' ' 25' ' ' VAL . 32.0 mm -40.11 -57.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -38.49 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.692 ' NE2' HG23 ' A' ' 51' ' ' VAL . 8.4 t-80 -38.94 -51.41 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.96 -45.5 78.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.12 -34.41 73.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.9 43.26 2.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.2 mt -86.33 150.54 24.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.9 166.56 25.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 47' ' ' SER . 11.0 t80 -77.73 154.47 32.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.533 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 88.38 -21.4 25.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 98.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.4 tt0 -65.8 121.5 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.41 128.26 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -101.12 -60.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -132.43 144.73 50.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CD1' HG22 ' A' ' 85' ' ' ILE . 18.2 t80 -118.95 110.39 17.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 49.13 23.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.38 -33.78 5.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.837 HD13 HG23 ' A' ' 85' ' ' ILE . 1.8 mt -58.74 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -73.2 93.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 12.9 mt -57.96 -40.31 80.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -40.83 128.25 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 1.3 t 88.63 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -48.85 175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.672 ' O ' HD11 ' A' ' 44' ' ' ILE . 43.1 p -115.03 -161.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.3 pt-20 -87.93 -38.8 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.9 -40.09 94.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.05 -41.06 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -66.49 -39.08 88.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HA ' HD11 ' A' ' 86' ' ' ILE . 13.4 mtt180 -65.92 -9.87 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -100.8 -55.1 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.837 HG23 HD13 ' A' ' 72' ' ' ILE . 18.8 mt -49.27 -47.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 83' ' ' ARG . 1.9 pt -68.89 -33.39 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.23 40.87 2.92 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -105.91 -173.38 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -107.77 146.61 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.287 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.83 107.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.338 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -40.85 -48.15 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.3 m -133.03 123.78 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.545 HG13 ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -129.19 146.48 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.421 ' N ' HG12 ' A' ' 93' ' ' ILE . 3.7 m -103.05 158.98 15.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.3 mt -139.01 139.74 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 20' ' ' PRO . 28.9 tp -114.6 88.78 2.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.45 167.42 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' TYR . 39.0 tt0 -151.61 87.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLN . 27.7 t80 -37.07 111.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.68 111.7 35.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -152.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.5 m80 52.24 24.59 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.63 114.39 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.05 173.26 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.542 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 63.07 141.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.516 HD12 ' OH ' ' A' ' 62' ' ' TYR . 0.3 OUTLIER -134.93 -67.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.98 134.9 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.3 p -77.28 165.78 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.36 81.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.635 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.08 140.57 48.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -126.2 159.13 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.47 174.41 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -98.96 -138.56 10.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 84.45 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.93 167.05 10.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.6 t -87.55 147.65 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.34 155.55 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -145.64 84.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.79 133.23 1.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.57 113.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -160.77 159.57 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.61 143.66 3.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.94 -170.33 28.7 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -168.38 161.81 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.246 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.32 90.52 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 177.65 118.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.58 150.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.67 109.71 16.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . 16.6 mtt85 61.7 112.93 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -75.02 -20.75 16.52 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' CZ ' ' O ' ' A' ' 14' ' ' ARG . 8.9 m-85 68.48 -60.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PRO . 9.0 p -136.8 159.06 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 98' ' ' GLN . 4.0 mm-40 -51.24 108.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' GLU . 1.4 pm0 -38.27 151.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.5 Cg_endo -74.91 137.56 22.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.831 ' O ' HD12 ' A' ' 96' ' ' LEU . 13.1 ptm180 -118.2 172.55 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -119.02 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' ALA . 24.2 t -75.61 117.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.38 145.85 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.578 HG21 HD12 ' A' ' 95' ' ' ILE . 3.9 t -127.0 130.58 71.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.506 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 mt-30 -109.86 68.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.757 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.48 -85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.98 -62.74 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -167.76 34.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -138.08 159.14 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.83 30.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 86' ' ' ILE . 14.2 tp -71.7 -57.28 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 84.71 63.51 1.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 33' ' ' GLY . 1.0 OUTLIER -156.17 151.65 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 7.0 t -101.07 143.34 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.638 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -136.37 144.21 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 2.9 m -130.89 148.63 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -101.59 146.08 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.77 169.24 31.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.97 52.78 2.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -174.77 -45.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.73 5.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.39 152.97 13.53 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.2 mm -118.42 137.59 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -130.92 135.06 47.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 28.9 t -62.95 128.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.95 -22.15 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 161.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 34' ' ' ILE . 1.4 t -123.99 157.28 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 97.1 m -99.22 165.57 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 t -102.07 146.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.35 34.16 17.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ILE . 84.6 p -114.62 157.04 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.757 HG21 ' CD ' ' A' ' 27' ' ' LYS . 31.2 mm -39.17 -54.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -51.25 -59.85 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -42.58 -34.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.13 -39.77 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.48 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -61.55 -17.05 53.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.32 38.24 18.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.9 162.17 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -158.89 169.22 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.5 t80 -75.46 152.9 37.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.582 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 86.42 -15.41 50.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.99 99.89 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.99 112.05 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HB3' HD12 ' A' ' 74' ' ' LEU . 29.2 mt -71.15 117.06 12.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.37 -62.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.9 mt-10 -139.74 138.42 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' CD1' ' A' ' 93' ' ' ILE . 11.6 t80 -107.98 111.2 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 93' ' ' ILE . 5.5 t-20 47.35 25.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.71 -35.36 4.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.746 HG21 HD13 ' A' ' 85' ' ' ILE . 2.8 mt -54.96 130.92 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.16 90.15 5.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 66' ' ' LEU . 10.9 mt -66.81 -33.89 76.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.69 -29.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 49.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.2 158.24 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -100.02 157.3 16.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.2 pt-20 -52.56 -38.65 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.2 -34.75 78.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.11 -38.98 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.638 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -64.82 -42.05 95.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -70.54 -6.87 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -105.39 -55.22 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.746 HD13 HG21 ' A' ' 72' ' ' ILE . 22.9 mt -47.5 -43.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.629 ' HB ' HD22 ' A' ' 32' ' ' LEU . 5.6 pt -70.55 -30.98 44.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -91.69 29.11 7.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HG3' HD12 ' A' ' 84' ' ' LEU . 14.4 mt-30 -99.65 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.365 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.637 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -82.96 -162.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 5.1 t 100.35 87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.46 -35.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m -140.55 102.51 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.568 ' CD1' ' CZ ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -116.02 145.36 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.422 ' N ' HG12 ' A' ' 93' ' ' ILE . 2.7 m -103.09 157.64 16.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.578 HD12 HG21 ' A' ' 25' ' ' VAL . 45.4 mt -132.27 146.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 21' ' ' ARG . 64.8 tp -112.42 99.4 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.17 160.83 15.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 31.9 tt0 -152.61 92.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -43.54 119.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.448 ' O ' HG12 ' A' ' 103' ' ' VAL . 60.6 t30 -115.62 111.02 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.49 3.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -156.21 50.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 103' ' ' VAL . 2.4 p -155.29 62.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -151.88 124.53 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -161.46 97.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp 71.2 -69.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 t 43.36 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.4 p 178.37 142.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.1 m80 54.4 87.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -165.38 127.79 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.62 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.3 m -98.59 149.91 22.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.5 163.93 27.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.91 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 86.0 p -91.86 93.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.5 m 59.44 86.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -178.14 150.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.88 79.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.96 76.62 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -99.4 -56.97 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.54 -67.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.98 -132.16 2.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.78 74.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -85.0 101.06 12.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -124.55 148.93 47.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 62.4 130.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 168.12 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.82 143.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -51.36 116.0 7.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.3 Cg_endo -74.97 -24.18 13.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 5.7 m-85 -174.41 -56.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -121.69 172.0 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -72.51 105.76 4.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -32.49 152.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.715 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.95 122.51 7.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.912 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.91 178.71 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CE1' HD23 ' A' ' 96' ' ' LEU . 9.4 m80 -129.93 81.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.98 119.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 152.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.552 ' CG1' HG22 ' A' ' 54' ' ' ILE . 9.6 t -132.74 132.88 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.25 74.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.843 ' HD3' HG21 ' A' ' 54' ' ' ILE . 3.0 mmtt -59.63 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.15 -52.06 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -177.98 36.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.36 155.72 60.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 176.67 9.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 12.5 tp -79.45 -54.89 5.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.72 64.39 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.787 HG22 HG22 ' A' ' 49' ' ' VAL . 1.1 pt -151.34 143.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 5.8 t -91.16 142.73 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.569 HD13 HD12 ' A' ' 44' ' ' ILE . 2.6 pp -139.0 150.54 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 47' ' ' SER . 3.5 m -134.52 149.54 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -97.78 148.36 23.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . -88.85 31.32 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.6 tt0 38.2 57.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.737 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.79 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.45 147.23 5.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.22 148.22 22.2 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.569 HD12 HD13 ' A' ' 36' ' ' ILE . 12.0 mm -124.15 135.87 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 0.723 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 31.2 m-85 -127.47 138.48 52.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 91.0 t -63.29 131.39 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.523 ' HB2' HG13 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -109.84 -16.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.026 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -178.91 164.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.787 HG22 HG22 ' A' ' 34' ' ' ILE . 1.3 t -135.43 155.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.415 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 93.7 m -104.0 121.12 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.91 130.93 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -22.32 19.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 50' ' ' THR . 1.3 p -68.25 160.08 29.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.747 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.843 HG21 ' HD3' ' A' ' 27' ' ' LYS . 37.8 mm -40.54 -56.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -40.6 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ALA . 32.9 t-80 -38.51 -49.14 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.564 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -53.49 -48.24 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -62.24 -36.38 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.7 51.55 1.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.0 158.65 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -143.63 158.79 43.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.4 t80 -79.25 156.7 28.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.604 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 89.21 -33.11 4.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -58.91 145.53 41.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 3.0 tt0 -105.8 133.25 50.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.492 HD22 ' CG2' ' A' ' 95' ' ' ILE . 16.5 mt -99.3 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.822 HD12 HD11 ' A' ' 96' ' ' LEU . 11.0 mt -88.18 -44.2 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -139.62 168.21 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CD1' HG22 ' A' ' 85' ' ' ILE . 39.4 t80 -143.08 101.68 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.6 t-20 59.45 16.71 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.01 -26.16 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.933 HD13 HG23 ' A' ' 85' ' ' ILE . 2.0 mt -58.07 157.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.75 97.52 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.1 mt -77.33 -41.6 39.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.83 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -124.68 52.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -131.97 163.42 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p -108.51 155.47 20.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -47.16 -37.3 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.5 -56.42 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -45.35 84.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.55 87.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -63.9 -11.96 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -101.44 -54.53 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.933 HG23 HD13 ' A' ' 72' ' ' ILE . 15.7 mt -47.23 -48.34 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.545 HG22 ' CE2' ' A' ' 69' ' ' PHE . 1.7 pt -70.28 -30.88 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 36.84 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 89' ' ' GLN . 3.3 mt-30 -105.83 -174.36 2.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.515 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 1.9 pm0 -102.22 148.24 25.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 160.79 106.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.314 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.39 -46.78 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.4 m -134.99 122.01 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -131.03 144.89 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -105.26 170.48 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.492 ' CG2' HD22 ' A' ' 66' ' ' LEU . 79.3 mt -145.54 140.31 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 21' ' ' ARG . 1.2 tm? -105.31 116.41 31.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.599 ' N ' HD13 ' A' ' 96' ' ' LEU . . . -127.77 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 99' ' ' TYR . 33.1 tt0 -140.88 48.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 2.7 t80 35.05 -156.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 5.1 p-10 159.68 79.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.44 32.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.6 t -120.28 -51.17 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -45.03 -60.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.66 131.87 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.8 mt 62.47 147.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.05 97.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.957 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 p -179.96 140.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.08 144.4 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 m -119.35 129.82 55.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.11 159.46 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.92 88.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.98 157.28 17.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.5 5.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.27 -58.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.63 161.62 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -143.02 155.35 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -155.27 140.69 17.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.95 146.98 18.52 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -174.49 104.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.42 167.81 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.99 -127.24 0.88 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.39 176.3 28.86 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -161.49 106.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 169.11 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.1 -54.55 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.91 -67.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.7 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -116.15 87.99 21.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -153.73 -43.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG23 ' CD ' ' A' ' 101' ' ' PRO . 9.8 p -155.4 144.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.88 107.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.14 151.27 0.35 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.754 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.0 128.73 11.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.713 ' O ' HD22 ' A' ' 96' ' ' LEU . 4.5 ptp85 -105.57 168.31 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -117.44 106.39 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' A' ' 21' ' ' ARG . 49.7 t -100.55 116.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.72 158.79 31.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG1' ' CG2' ' A' ' 54' ' ' ILE . 33.0 t -133.93 136.47 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.58 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.3 mt-30 -111.44 71.65 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.791 ' CD ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -62.79 -84.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 54.65 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.69 43.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.0 mp0 -144.31 157.38 56.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 ' HG ' ' HB2' ' A' ' 55' ' ' ALA . 13.7 tp -86.74 -55.91 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 34' ' ' ILE . . . 83.03 62.94 1.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.825 HG22 HG22 ' A' ' 49' ' ' VAL . 1.1 pt -153.67 148.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 3.7 t -98.54 141.96 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -132.41 155.49 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 5.3 m -142.24 153.6 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -112.27 147.34 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.42 17.44 58.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.93 -67.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.38 -44.96 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.31 155.27 7.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.64 150.88 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.702 HG22 HD12 ' A' ' 66' ' ' LEU . 19.2 mm -123.16 137.73 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 37' ' ' VAL . 70.5 m-85 -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 62' ' ' TYR . 50.3 t -59.53 130.98 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.485 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -103.26 -20.64 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -178.22 166.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 34' ' ' ILE . 1.4 t -134.37 153.97 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.6 m -99.5 150.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.438 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 4.3 p -94.01 144.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.04 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.91 159.25 15.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.791 HG21 ' CD ' ' A' ' 27' ' ' LYS . 39.1 mm -40.76 -64.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.648 ' HB2' ' HG ' ' A' ' 32' ' ' LEU . . . -37.28 -63.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 3.1 t-80 -39.44 -51.36 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -61.32 -42.19 98.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -59.07 -29.55 67.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.1 46.02 3.7 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.44 168.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.36 165.04 35.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 2.9 t80 -83.16 156.85 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.63 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 80.29 -6.2 61.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.96 102.16 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -53.75 130.01 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.702 HD12 HG22 ' A' ' 44' ' ' ILE . 49.3 mt -89.1 107.04 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.874 HD12 ' CD1' ' A' ' 96' ' ' LEU . 17.6 mt -77.09 -74.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -132.31 155.72 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 74' ' ' LEU . 43.3 t80 -124.87 104.54 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.53 13.58 7.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.14 19.29 63.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.607 HG21 HG21 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -80.97 6.99 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 53.68 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 69' ' ' PHE . 3.4 mt -93.02 -21.9 19.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -45.46 -25.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' LEU . 29.1 t -126.74 60.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.755 ' HB3' HD23 ' A' ' 74' ' ' LEU . . . -139.79 161.35 37.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.487 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 41.1 p -102.42 179.28 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.0 pt-20 -70.0 -37.33 75.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.08 -39.97 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.487 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -71.61 -52.05 20.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -46.35 -57.3 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' HA ' HD11 ' A' ' 86' ' ' ILE . 11.9 mtp180 -48.08 -31.92 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' GLY . 21.6 mt -82.61 -57.72 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.656 HG22 ' CD1' ' A' ' 69' ' ' PHE . 58.4 mt -43.21 -57.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 83' ' ' ARG . 1.6 pt -62.31 -30.17 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -87.94 36.67 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -97.82 -174.12 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -115.85 118.11 32.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 89' ' ' GLN . 1.3 m -168.9 116.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -46.27 -52.52 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 79.3 m -130.28 127.2 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.86 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.9 m -98.18 155.33 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 25' ' ' VAL . 55.8 mt -136.99 148.13 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.874 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 tm? -116.94 114.72 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -112.45 177.53 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' TYR . 45.9 tt0 -173.68 79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' GLN . 24.0 t80 -37.17 130.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -115.09 109.14 47.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.554 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.05 54.61 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -174.21 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.613 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -133.89 137.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -165.4 151.82 9.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -122.53 154.04 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.3 tp -109.51 145.78 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.3 m 58.66 159.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.957 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -60.54 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 62.1 167.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.612 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 p 57.84 176.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.006 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? 58.94 113.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.86 138.34 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.19 118.69 15.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.01 40.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.14 164.93 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -41.74 106.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.035 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.049 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -176.3 164.1 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m 66.79 160.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.51 -117.01 3.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 t -164.18 142.57 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -163.15 152.82 15.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.26 14.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.49 -158.58 7.74 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.68 145.48 34.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.99 89.29 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.2 132.44 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 56.11 3.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -136.67 119.47 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -91.7 118.74 68.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -113.76 -49.54 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.94 -176.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.97 101.96 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -36.71 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HB2' HD21 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.99 143.64 29.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD22 ' A' ' 96' ' ' LEU . 3.0 ptm180 -122.86 166.58 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.82 105.28 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 58' ' ' ALA . 16.2 t -97.59 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 160.09 15.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.655 HG13 HG22 ' A' ' 54' ' ' ILE . 13.5 t -136.35 148.74 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -127.49 53.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HG21 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -37.46 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.59 55.94 3.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.07 42.08 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 2.9 mt-10 -142.63 156.66 63.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.88 30.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD23 HG12 ' A' ' 34' ' ' ILE . 21.9 tp -85.62 -34.89 21.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.25 68.26 1.77 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 86' ' ' ILE . 1.1 pt -151.16 152.66 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -109.25 141.39 41.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.4 pp -133.83 151.15 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.1 m -138.97 148.71 23.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -100.64 146.23 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . -104.65 145.28 15.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -38.5 -66.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 54.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.84 -147.88 4.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.1 -148.21 8.53 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 mm -101.77 139.69 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 70.4 m-85 -132.41 141.1 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.07 127.9 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.5 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -98.62 -22.28 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tttt 179.74 172.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 34' ' ' ILE . 1.5 p -152.75 140.52 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 m -102.58 157.68 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -90.26 158.18 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 55.53 17.48 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.573 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 1.1 m -104.95 12.23 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.655 HG22 HG13 ' A' ' 25' ' ' VAL . 5.8 mm 85.96 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -51.14 -66.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -45.87 -49.79 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.55 -39.46 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.674 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -68.21 -29.49 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 55.22 1.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.47 143.72 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.91 172.77 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 8.4 t80 -84.48 155.75 22.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.972 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.572 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 85.95 -13.18 57.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.16 115.04 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 tt0 -69.15 125.54 26.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.78 91.23 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.888 HD12 ' CD1' ' A' ' 96' ' ' LEU . 30.1 mt -57.86 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 5.1 mt-10 -126.26 169.06 13.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 86' ' ' ILE . 53.8 t80 -131.74 99.68 4.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' ND2' ' HB ' ' A' ' 93' ' ' ILE . 1.8 t-20 63.92 14.32 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 68' ' ' GLU . . . 118.71 -16.67 11.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.879 HG21 HG21 ' A' ' 85' ' ' ILE . 3.9 mt -69.61 134.54 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -83.21 106.62 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.13 -21.8 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -52.82 -24.89 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.2 m -122.02 44.76 2.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.2 -170.94 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.471 ' OG1' ' NE2' ' A' ' 81' ' ' GLN . 35.5 p -127.41 -171.43 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.5 pt-20 -80.53 -37.25 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.411 ' NE2' ' OE1' ' A' ' 81' ' ' GLN . 9.0 pt20 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.471 ' NE2' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -75.97 -46.32 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.613 ' HB3' HD13 ' A' ' 36' ' ' ILE . . . -48.39 -55.4 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD11 ' A' ' 86' ' ' ILE . 9.9 mtp-105 -55.94 -23.87 34.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.18 -40.51 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.879 HG21 HG21 ' A' ' 72' ' ' ILE . 80.1 mt -67.65 -47.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 34' ' ' ILE . 4.9 pt -67.58 -21.57 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.92 12.15 70.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 24.9 mm-40 -56.77 178.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -112.63 133.05 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER 165.89 112.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.299 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -43.22 -49.43 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.4 m -127.04 121.8 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.737 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -135.43 153.28 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 93' ' ' ILE . 1.9 m -109.52 159.28 17.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.609 HG13 HD11 ' A' ' 93' ' ' ILE . 8.4 mt -137.16 153.9 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.888 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 tm? -118.13 116.39 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . . . -116.39 177.76 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -174.27 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -39.9 125.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -123.85 106.82 31.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.28 3.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.564 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -139.72 -49.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' VAL . 22.8 p80 49.7 -173.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.586 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 66.14 157.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -139.66 -58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.32 138.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.5 m -107.79 78.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -59.58 101.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.632 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.3 p -78.53 156.92 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.03 148.99 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.5 t -103.32 144.65 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.09 128.29 8.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.66 41.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -98.35 137.18 37.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.76 145.88 15.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.049 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.92 145.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.16 170.01 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.87 157.06 29.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -173.76 170.86 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.88 164.39 31.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.06 -173.37 44.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.3 160.59 27.62 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -175.26 150.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.294 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.46 79.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -176.45 166.56 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -67.97 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.1 80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -148.92 82.66 7.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.539 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 18.4 Cg_endo -74.99 -24.81 12.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 10.6 m-85 -173.6 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.3 -176.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.3 mt-10 -79.54 101.42 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -36.98 154.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 129.31 12.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 96' ' ' LEU . 1.9 ptm85 -106.69 174.99 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.868 ' CE1' HD13 ' A' ' 96' ' ' LEU . 9.5 m80 -123.42 91.82 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 39.0 t -77.68 114.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.665 ' HA ' HG23 ' A' ' 94' ' ' THR . 12.5 tttt -88.49 149.88 23.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.61 ' CG1' HG22 ' A' ' 54' ' ' ILE . 5.0 t -134.0 152.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -131.01 51.51 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.869 ' HG3' HG21 ' A' ' 54' ' ' ILE . 1.2 mtpt -40.1 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.76 -99.37 2.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.98 28.65 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -147.03 154.84 47.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.53 9.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.558 HD23 HG12 ' A' ' 34' ' ' ILE . 33.8 tp -79.0 -50.03 11.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.59 68.25 1.54 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.565 HG22 HG23 ' A' ' 49' ' ' VAL . 1.2 pt -149.33 159.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -115.86 142.74 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 82' ' ' ALA . 2.2 pp -134.83 151.1 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 3.2 m -137.93 149.42 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -98.98 146.13 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.05 -178.96 31.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.02 75.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mttm 65.58 40.52 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.16 -120.5 3.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.0 -154.49 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 15.7 mm -113.87 139.1 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 65' ' ' GLN . 75.2 m-85 -131.02 143.57 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.3 t -68.0 127.26 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.497 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -96.89 -26.34 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.58 168.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 34' ' ' ILE . 2.1 p -149.26 125.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.7 m -57.12 157.26 6.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . 5.8 t -99.52 127.58 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' H ' ' CG ' ' A' ' 56' ' ' HIS . . . 87.53 -12.19 63.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ILE . 94.8 p -72.39 160.31 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.869 HG21 ' HG3' ' A' ' 27' ' ' LYS . 33.8 mm -37.66 -54.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -47.72 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 51' ' ' VAL . 1.8 t-80 -39.15 -45.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.54 -46.52 87.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . -60.7 -40.59 92.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 49.56 0.86 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.28 136.19 34.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.57 169.86 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 63' ' ' GLY . 4.8 t80 -81.48 151.07 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.547 ' N ' ' CD1' ' A' ' 62' ' ' TYR . . . 87.87 -16.85 49.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 91.11 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.2 tt0 -58.31 126.61 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' HD13 ' A' ' 74' ' ' LEU . 6.9 mt -88.18 105.82 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' OE1' ' A' ' 98' ' ' GLN . 94.1 mt -74.21 -54.49 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 142.11 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.736 ' HB2' HD11 ' A' ' 74' ' ' LEU . 50.7 t80 -108.66 104.54 13.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 69' ' ' PHE . 17.8 p30 40.49 29.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PHE . . . 97.1 62.61 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.008 HG21 HD13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -147.54 148.56 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -82.79 118.36 23.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' A' ' 69' ' ' PHE . 66.5 mt -117.22 -39.11 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -43.0 -27.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -137.53 56.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.04 171.98 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.2 p -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -41.49 -36.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.4 -45.53 83.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -59.66 -54.1 50.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 86' ' ' ILE . . . -51.18 -58.7 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.488 ' HA ' HD11 ' A' ' 86' ' ' ILE . 30.4 mtp180 -48.26 -23.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -91.23 -54.22 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.008 HD13 HG21 ' A' ' 72' ' ' ILE . 71.5 mt -56.23 -29.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 2.0 pt -89.77 -34.39 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.29 2.92 80.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.07 -173.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' CYS . 0.6 OUTLIER -92.0 -106.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' GLN . 6.6 m 52.56 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -46.78 -44.45 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.499 HG22 ' HE2' ' A' ' 24' ' ' LYS . 5.3 m -123.23 109.57 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.653 HD13 ' C ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.26 146.04 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.665 HG23 ' HA ' ' A' ' 24' ' ' LYS . 1.4 m -111.63 158.62 19.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' VAL . 16.0 mt -134.14 141.54 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.868 HD13 ' CE1' ' A' ' 22' ' ' HIS . 26.6 tp -113.41 83.79 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 174.65 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 67' ' ' LEU . 42.4 tt0 -165.28 83.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLN . 10.9 t80 -36.34 131.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.628 ' O ' HG12 ' A' ' 103' ' ' VAL . 15.1 t30 -125.34 112.85 25.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -75.0 54.55 3.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' PRO . 28.6 m-70 -165.3 43.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 100' ' ' ASN . 2.4 p -151.94 73.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -125.72 93.29 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -92.45 116.33 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mt 59.33 166.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.0 p -118.59 134.66 54.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.8 p -98.92 133.52 43.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -175.95 81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.12 156.78 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 141.32 44.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.44 -57.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.27 121.06 2.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 151.02 39.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.6 t -111.07 144.65 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 87.2 p -90.9 150.05 21.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.953 . . . . . . . . 0 0 . 1 stop_ save_